REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1d9e_1_A DATA FIRST_RESID 1001 DATA SEQUENCE MKQKVVSIGD INVANDLPFV LFGGMNVLES RDLAMRICEH YVTVTQKLGI DATA SEQUENCE PYVFKASFDK ANRSSIHSYR GPGLEEGMKI FQELKQTFGV KIITDVHEPS DATA SEQUENCE QAQPVADVVD VIQLPAFLAR QTDLVEAMAK TGAVINVKKP QFVSPGQMGN DATA SEQUENCE IVDKFKEGGN EKVILCDRGA NFGYDNLVVD MLGFSIMKKV SGNSPVIFDV DATA SEQUENCE THALQXXXXX XXXXXXXRAQ VAELARAGMA VGLAGLFIEA HPDPEXXXXX DATA SEQUENCE XPSALPLAKL EPFLKQMKAI DDLVKGFEEL DTSK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.308 176.300 0.014 0.000 1.140 1001 M CA 0.000 55.307 55.300 0.012 0.000 0.988 1001 M CB 0.000 32.608 32.600 0.013 0.000 1.302 1002 K N 2.739 123.147 120.400 0.013 0.000 2.319 1002 K HA 0.229 4.549 4.320 0.000 0.000 0.265 1002 K C -0.639 175.970 176.600 0.015 0.000 1.000 1002 K CA -0.117 56.179 56.287 0.014 0.000 0.943 1002 K CB 0.795 33.302 32.500 0.012 0.000 0.950 1002 K HN 0.527 nan 8.250 nan 0.000 0.485 1003 Q N 2.051 121.861 119.800 0.017 0.000 2.352 1003 Q HA 0.036 4.376 4.340 0.000 0.000 0.260 1003 Q C -0.643 175.367 176.000 0.017 0.000 0.976 1003 Q CA 0.051 55.866 55.803 0.019 0.000 0.881 1003 Q CB 1.163 29.914 28.738 0.022 0.000 1.235 1003 Q HN 0.560 nan 8.270 nan 0.000 0.419 1004 K N 0.842 121.252 120.400 0.017 0.000 2.298 1004 K HA 0.253 4.573 4.320 0.000 0.000 0.280 1004 K C -1.084 175.526 176.600 0.016 0.000 1.032 1004 K CA -0.204 56.092 56.287 0.014 0.000 0.958 1004 K CB 0.671 33.178 32.500 0.011 0.000 0.978 1004 K HN 0.295 nan 8.250 nan 0.000 0.472 1005 V N 5.114 125.036 119.914 0.014 0.000 2.435 1005 V HA 0.419 4.539 4.120 0.000 0.000 0.290 1005 V C -0.727 175.375 176.094 0.013 0.000 1.030 1005 V CA -0.938 61.371 62.300 0.015 0.000 0.881 1005 V CB 1.660 33.490 31.823 0.012 0.000 0.983 1005 V HN 0.587 nan 8.190 nan 0.000 0.445 1006 V N 3.875 123.801 119.914 0.019 0.000 2.487 1006 V HA 0.513 4.633 4.120 0.000 0.000 0.298 1006 V C 0.031 176.137 176.094 0.021 0.000 1.028 1006 V CA -0.212 62.097 62.300 0.015 0.000 0.860 1006 V CB 2.123 33.954 31.823 0.014 0.000 0.991 1006 V HN 0.910 nan 8.190 nan 0.000 0.427 1007 S N 5.207 120.913 115.700 0.010 0.000 2.593 1007 S HA 0.741 5.211 4.470 0.000 0.000 0.297 1007 S C -0.411 174.190 174.600 0.002 0.000 1.112 1007 S CA -0.481 57.721 58.200 0.004 0.000 1.043 1007 S CB 1.459 64.658 63.200 -0.003 0.000 1.054 1007 S HN 0.562 nan 8.310 nan 0.000 0.516 1008 I N 2.593 123.157 120.570 -0.009 0.000 2.563 1008 I HA 0.432 4.602 4.170 0.000 0.000 0.276 1008 I C 0.848 176.945 176.117 -0.033 0.000 1.074 1008 I CA -0.377 60.912 61.300 -0.018 0.000 1.124 1008 I CB 0.514 38.501 38.000 -0.022 0.000 1.225 1008 I HN 0.915 nan 8.210 nan 0.000 0.482 1009 G N 5.407 114.192 108.800 -0.024 0.000 2.583 1009 G HA2 -0.386 3.574 3.960 0.000 0.000 0.292 1009 G HA3 -0.386 3.574 3.960 0.000 0.000 0.292 1009 G C 0.434 175.319 174.900 -0.026 0.000 1.203 1009 G CA 0.827 45.912 45.100 -0.025 0.000 0.987 1009 G HN 0.812 nan 8.290 nan 0.000 0.554 1010 D N 0.689 121.071 120.400 -0.029 0.000 2.352 1010 D HA 0.284 4.924 4.640 0.000 0.000 0.232 1010 D C 1.127 177.404 176.300 -0.038 0.000 1.055 1010 D CA 0.333 54.316 54.000 -0.029 0.000 0.891 1010 D CB -0.085 40.700 40.800 -0.025 0.000 0.897 1010 D HN 0.680 nan 8.370 nan 0.000 0.529 1011 I N 0.285 120.826 120.570 -0.048 0.000 2.607 1011 I HA 0.301 4.471 4.170 0.000 0.000 0.305 1011 I C -0.162 175.931 176.117 -0.040 0.000 0.995 1011 I CA -1.030 60.233 61.300 -0.062 0.000 1.148 1011 I CB 1.357 39.295 38.000 -0.103 0.000 1.323 1011 I HN -0.136 nan 8.210 nan 0.000 0.461 1012 N N 4.175 122.854 118.700 -0.034 0.000 2.352 1012 N HA 0.426 5.166 4.740 0.000 0.000 0.291 1012 N C -1.262 174.250 175.510 0.003 0.000 1.040 1012 N CA -0.406 52.638 53.050 -0.010 0.000 0.864 1012 N CB 2.770 41.252 38.487 -0.009 0.000 1.440 1012 N HN 0.144 nan 8.380 nan 0.000 0.483 1013 V N 0.752 120.687 119.914 0.035 0.000 2.384 1013 V HA 0.906 5.026 4.120 0.000 0.000 0.287 1013 V C -0.085 176.046 176.094 0.062 0.000 1.020 1013 V CA -0.611 61.734 62.300 0.075 0.000 0.850 1013 V CB 0.902 32.818 31.823 0.155 0.000 0.987 1013 V HN 0.891 nan 8.190 nan 0.000 0.436 1014 A N 3.227 126.083 122.820 0.061 0.000 2.604 1014 A HA 0.527 4.847 4.320 0.000 0.000 0.295 1014 A C 0.211 177.827 177.584 0.054 0.000 1.067 1014 A CA -0.657 51.409 52.037 0.048 0.000 0.683 1014 A CB 1.020 20.039 19.000 0.032 0.000 1.281 1014 A HN 0.714 nan 8.150 nan 0.000 0.407 1015 N N 0.230 118.957 118.700 0.045 0.000 2.364 1015 N HA -0.128 4.612 4.740 0.000 0.000 0.183 1015 N C 0.231 175.761 175.510 0.034 0.000 1.022 1015 N CA 1.391 54.465 53.050 0.040 0.000 0.883 1015 N CB 0.130 38.638 38.487 0.034 0.000 0.965 1015 N HN 0.742 nan 8.380 nan 0.000 0.438 1016 D N -0.498 119.921 120.400 0.031 0.000 2.462 1016 D HA 0.100 4.740 4.640 0.000 0.000 0.221 1016 D C -0.305 176.009 176.300 0.023 0.000 1.173 1016 D CA -0.145 53.870 54.000 0.025 0.000 0.831 1016 D CB 0.066 40.879 40.800 0.022 0.000 1.001 1016 D HN -0.047 nan 8.370 nan 0.000 0.499 1017 L N 0.381 121.623 121.223 0.031 0.000 2.319 1017 L HA 0.557 4.897 4.340 0.000 0.000 0.267 1017 L C -2.330 174.564 176.870 0.039 0.000 1.011 1017 L CA -2.576 52.279 54.840 0.024 0.000 0.818 1017 L CB 1.619 43.690 42.059 0.020 0.000 1.316 1017 L HN -0.268 nan 8.230 nan 0.000 0.432 1018 P HA 0.003 nan 4.420 nan 0.000 0.265 1018 P C -0.779 176.557 177.300 0.061 0.000 1.187 1018 P CA 0.001 63.127 63.100 0.044 0.000 0.766 1018 P CB 0.090 31.781 31.700 -0.015 0.000 0.820 1019 F N 2.874 122.819 119.950 -0.010 0.000 2.553 1019 F HA 0.308 4.835 4.527 0.000 0.000 0.356 1019 F C -0.611 175.202 175.800 0.021 0.000 1.142 1019 F CA -0.646 57.365 58.000 0.018 0.000 1.322 1019 F CB -0.061 38.952 39.000 0.020 0.000 1.126 1019 F HN -0.003 nan 8.300 nan 0.000 0.599 1020 V N 5.394 125.272 119.914 -0.059 0.000 2.472 1020 V HA 0.344 4.464 4.120 0.000 0.000 0.290 1020 V C -0.452 175.569 176.094 -0.122 0.000 1.037 1020 V CA -0.866 61.277 62.300 -0.262 0.000 0.908 1020 V CB 1.380 33.078 31.823 -0.208 0.000 0.985 1020 V HN 0.860 nan 8.190 nan 0.000 0.454 1021 L N 5.418 126.484 121.223 -0.262 0.000 2.265 1021 L HA 0.574 4.914 4.340 0.000 0.000 0.289 1021 L C -0.995 175.794 176.870 -0.135 0.000 1.033 1021 L CA 0.306 55.185 54.840 0.065 0.000 0.814 1021 L CB 0.549 42.726 42.059 0.196 0.000 1.203 1021 L HN 0.466 nan 8.230 nan 0.000 0.423 1022 F N 4.734 124.698 119.950 0.024 0.000 2.303 1022 F HA 0.687 5.214 4.527 0.000 0.000 0.368 1022 F C 0.931 176.514 175.800 -0.361 0.000 1.105 1022 F CA -0.427 57.451 58.000 -0.203 0.000 1.153 1022 F CB 1.082 40.008 39.000 -0.124 0.000 1.362 1022 F HN 0.570 nan 8.300 nan 0.000 0.511 1023 G N 0.181 108.851 108.800 -0.216 0.000 2.574 1023 G HA2 0.729 4.689 3.960 0.000 0.000 0.299 1023 G HA3 0.729 4.689 3.960 0.000 0.000 0.299 1023 G C -0.442 173.911 174.900 -0.911 0.000 1.298 1023 G CA -0.390 44.493 45.100 -0.362 0.000 0.952 1023 G HN 0.882 nan 8.290 nan 0.000 0.477 1024 G N -0.252 108.006 108.800 -0.905 0.000 2.593 1024 G HA2 0.542 4.502 3.960 0.000 0.000 0.103 1024 G HA3 0.542 4.502 3.960 0.000 0.000 0.103 1024 G C -0.599 174.117 174.900 -0.308 0.000 1.103 1024 G CA 0.122 44.666 45.100 -0.928 0.000 1.109 1024 G HN 1.309 nan 8.290 nan 0.000 0.516 1025 M N -0.387 119.049 119.600 -0.274 0.000 2.658 1025 M HA 0.568 5.048 4.480 0.000 0.000 0.295 1025 M C 0.518 176.819 176.300 0.002 0.000 1.248 1025 M CA -0.916 54.374 55.300 -0.017 0.000 0.843 1025 M CB 2.162 34.819 32.600 0.096 0.000 1.749 1025 M HN 0.479 nan 8.290 nan 0.000 0.464 1026 N N 0.580 119.333 118.700 0.089 0.000 2.051 1026 N HA -0.010 4.730 4.740 0.000 0.000 0.192 1026 N C -0.184 175.400 175.510 0.122 0.000 1.049 1026 N CA 1.590 54.709 53.050 0.114 0.000 0.845 1026 N CB 0.328 38.890 38.487 0.124 0.000 1.031 1026 N HN 0.552 nan 8.380 nan 0.000 0.425 1027 V N 0.714 120.719 119.914 0.151 0.000 3.001 1027 V HA 0.354 4.474 4.120 0.000 0.000 0.314 1027 V C 0.412 176.620 176.094 0.190 0.000 1.099 1027 V CA -0.736 61.657 62.300 0.156 0.000 0.989 1027 V CB 2.069 33.994 31.823 0.171 0.000 1.040 1027 V HN 0.064 nan 8.190 nan 0.000 0.434 1028 L N 1.761 123.084 121.223 0.166 0.000 2.511 1028 L HA 0.189 4.529 4.340 0.000 0.000 0.239 1028 L C 1.632 178.622 176.870 0.199 0.000 1.400 1028 L CA 0.217 55.146 54.840 0.149 0.000 1.226 1028 L CB -0.834 41.242 42.059 0.030 0.000 1.475 1028 L HN 0.790 nan 8.230 nan 0.000 0.428 1029 E N 0.564 120.909 120.200 0.242 0.000 2.136 1029 E HA -0.198 4.152 4.350 0.000 0.000 0.202 1029 E C 0.623 177.309 176.600 0.142 0.000 1.019 1029 E CA 1.531 58.069 56.400 0.230 0.000 0.819 1029 E CB 0.080 29.872 29.700 0.153 0.000 0.739 1029 E HN 0.673 nan 8.360 nan 0.000 0.458 1030 S N -1.442 114.323 115.700 0.108 0.000 2.565 1030 S HA 0.396 4.866 4.470 0.000 0.000 0.269 1030 S C 0.145 174.784 174.600 0.065 0.000 1.153 1030 S CA -0.911 57.332 58.200 0.071 0.000 0.835 1030 S CB 1.867 65.093 63.200 0.044 0.000 1.122 1030 S HN 0.111 nan 8.310 nan 0.000 0.462 1031 R N 1.002 121.530 120.500 0.046 0.000 2.092 1031 R HA 0.078 4.418 4.340 0.000 0.000 0.231 1031 R C 0.876 177.208 176.300 0.052 0.000 1.119 1031 R CA 1.749 57.873 56.100 0.040 0.000 0.970 1031 R CB -1.219 29.094 30.300 0.022 0.000 0.864 1031 R HN 0.579 nan 8.270 nan 0.000 0.440 1032 D N 0.815 121.241 120.400 0.045 0.000 2.092 1032 D HA -0.145 4.495 4.640 0.000 0.000 0.193 1032 D C 1.821 178.153 176.300 0.053 0.000 0.994 1032 D CA 1.386 55.413 54.000 0.046 0.000 0.828 1032 D CB -0.390 40.428 40.800 0.031 0.000 0.963 1032 D HN 0.183 nan 8.370 nan 0.000 0.450 1033 L N 0.949 122.199 121.223 0.046 0.000 2.042 1033 L HA -0.102 4.238 4.340 0.000 0.000 0.210 1033 L C 2.128 179.046 176.870 0.079 0.000 1.076 1033 L CA 1.786 56.648 54.840 0.036 0.000 0.749 1033 L CB -0.766 41.307 42.059 0.023 0.000 0.893 1033 L HN -0.018 nan 8.230 nan 0.000 0.432 1034 A N -0.953 121.935 122.820 0.114 0.000 1.902 1034 A HA -0.206 4.114 4.320 0.000 0.000 0.217 1034 A C 2.215 179.870 177.584 0.118 0.000 1.181 1034 A CA 2.016 54.157 52.037 0.174 0.000 0.623 1034 A CB -0.491 18.603 19.000 0.157 0.000 0.818 1034 A HN 0.466 nan 8.150 nan 0.000 0.443 1035 M N -0.826 118.842 119.600 0.113 0.000 2.067 1035 M HA -0.135 4.346 4.480 0.000 0.000 0.260 1035 M C 2.311 178.690 176.300 0.132 0.000 1.069 1035 M CA 1.968 57.379 55.300 0.186 0.000 1.117 1035 M CB -1.173 31.543 32.600 0.194 0.000 1.334 1035 M HN 0.604 nan 8.290 nan 0.000 0.407 1036 R N 0.652 121.210 120.500 0.098 0.000 2.080 1036 R HA -0.136 4.205 4.340 0.000 0.000 0.236 1036 R C 2.139 178.477 176.300 0.065 0.000 1.137 1036 R CA 1.640 57.778 56.100 0.063 0.000 0.943 1036 R CB -0.371 29.946 30.300 0.027 0.000 0.846 1036 R HN 0.306 nan 8.270 nan 0.000 0.431 1037 I N 0.348 120.983 120.570 0.109 0.000 2.163 1037 I HA -0.365 3.805 4.170 0.000 0.000 0.243 1037 I C 2.832 179.149 176.117 0.334 0.000 1.085 1037 I CA 1.226 62.662 61.300 0.226 0.000 1.347 1037 I CB -0.411 37.754 38.000 0.274 0.000 1.044 1037 I HN 0.456 nan 8.210 nan 0.000 0.408 1038 C N 0.967 120.383 119.300 0.194 0.000 2.425 1038 C HA -0.176 4.284 4.460 0.000 0.000 0.277 1038 C C 2.912 177.686 174.990 -0.359 0.000 1.280 1038 C CA 1.315 60.313 59.018 -0.032 0.000 1.744 1038 C CB -0.985 26.419 27.740 -0.559 0.000 1.989 1038 C HN 0.520 nan 8.230 nan 0.000 0.491 1039 E N -0.124 119.753 120.200 -0.539 0.000 2.051 1039 E HA -0.257 4.093 4.350 0.000 0.000 0.192 1039 E C 2.041 178.537 176.600 -0.175 0.000 0.991 1039 E CA 1.595 57.660 56.400 -0.558 0.000 0.799 1039 E CB -0.898 28.700 29.700 -0.171 0.000 0.748 1039 E HN 0.849 nan 8.360 nan 0.000 0.449 1040 H N -1.287 117.699 119.070 -0.139 0.000 2.387 1040 H HA -0.150 4.406 4.556 0.000 0.000 0.299 1040 H C 1.825 177.042 175.328 -0.185 0.000 1.090 1040 H CA 1.539 57.505 56.048 -0.138 0.000 1.332 1040 H CB 0.047 29.726 29.762 -0.139 0.000 1.386 1040 H HN 0.228 nan 8.280 nan 0.000 0.516 1041 Y N 0.042 120.175 120.300 -0.279 0.000 2.200 1041 Y HA -0.207 4.343 4.550 0.000 0.000 0.290 1041 Y C 2.830 178.343 175.900 -0.644 0.000 1.137 1041 Y CA 1.245 59.046 58.100 -0.499 0.000 1.163 1041 Y CB -0.196 38.007 38.460 -0.429 0.000 0.988 1041 Y HN 0.002 nan 8.280 nan 0.000 0.518 1042 V N -0.966 118.781 119.914 -0.278 0.000 2.295 1042 V HA -0.324 3.796 4.120 0.000 0.000 0.246 1042 V C 2.193 178.173 176.094 -0.190 0.000 1.049 1042 V CA 2.356 64.527 62.300 -0.215 0.000 1.024 1042 V CB -1.205 30.537 31.823 -0.135 0.000 0.648 1042 V HN 0.411 nan 8.190 nan 0.000 0.447 1043 T N 0.362 114.807 114.554 -0.182 0.000 2.607 1043 T HA -0.204 4.146 4.350 0.000 0.000 0.267 1043 T C 1.960 176.548 174.700 -0.187 0.000 1.049 1043 T CA 1.968 63.984 62.100 -0.140 0.000 1.162 1043 T CB -0.370 68.437 68.868 -0.102 0.000 0.863 1043 T HN 0.268 nan 8.240 nan 0.000 0.424 1044 V N 2.092 121.820 119.914 -0.310 0.000 2.295 1044 V HA -0.206 3.914 4.120 0.000 0.000 0.246 1044 V C 3.029 178.994 176.094 -0.216 0.000 1.049 1044 V CA 2.281 64.405 62.300 -0.293 0.000 1.024 1044 V CB -1.451 30.109 31.823 -0.439 0.000 0.648 1044 V HN 0.772 nan 8.190 nan 0.000 0.447 1045 T N -2.103 112.295 114.554 -0.260 0.000 2.867 1045 T HA -0.269 4.081 4.350 0.000 0.000 0.268 1045 T C 1.786 176.407 174.700 -0.131 0.000 1.057 1045 T CA 1.686 63.667 62.100 -0.200 0.000 1.136 1045 T CB -0.259 68.445 68.868 -0.273 0.000 0.874 1045 T HN 0.400 nan 8.240 nan 0.000 0.466 1046 Q N 1.643 121.371 119.800 -0.120 0.000 2.020 1046 Q HA -0.028 4.312 4.340 0.000 0.000 0.202 1046 Q C 2.345 178.306 176.000 -0.064 0.000 0.982 1046 Q CA 1.799 57.560 55.803 -0.070 0.000 0.838 1046 Q CB -0.276 28.431 28.738 -0.052 0.000 0.899 1046 Q HN 0.678 nan 8.270 nan 0.000 0.423 1047 K N -0.324 120.031 120.400 -0.074 0.000 2.097 1047 K HA -0.129 4.191 4.320 0.000 0.000 0.206 1047 K C 1.549 178.117 176.600 -0.054 0.000 1.049 1047 K CA 1.298 57.550 56.287 -0.059 0.000 0.933 1047 K CB -0.082 32.381 32.500 -0.062 0.000 0.717 1047 K HN 0.294 nan 8.250 nan 0.000 0.442 1048 L N -0.325 120.859 121.223 -0.066 0.000 2.558 1048 L HA 0.172 4.512 4.340 0.000 0.000 0.225 1048 L C 0.999 177.838 176.870 -0.053 0.000 1.128 1048 L CA 0.407 55.216 54.840 -0.051 0.000 0.868 1048 L CB 0.118 42.149 42.059 -0.046 0.000 1.006 1048 L HN 0.559 nan 8.230 nan 0.000 0.454 1049 G N 1.434 110.196 108.800 -0.063 0.000 2.182 1049 G HA2 -0.271 3.689 3.960 0.000 0.000 0.248 1049 G HA3 -0.271 3.689 3.960 0.000 0.000 0.248 1049 G C -0.005 174.834 174.900 -0.101 0.000 1.042 1049 G CA -0.198 44.862 45.100 -0.067 0.000 0.775 1049 G HN 0.292 nan 8.290 nan 0.000 0.501 1050 I N 1.175 121.667 120.570 -0.129 0.000 2.321 1050 I HA 0.303 4.473 4.170 0.000 0.000 0.291 1050 I C -1.859 174.140 176.117 -0.197 0.000 0.998 1050 I CA -2.527 58.636 61.300 -0.228 0.000 1.227 1050 I CB 1.632 39.480 38.000 -0.255 0.000 1.368 1050 I HN -0.133 nan 8.210 nan 0.000 0.466 1051 P HA -0.002 nan 4.420 nan 0.000 0.266 1051 P C -1.433 175.779 177.300 -0.148 0.000 1.195 1051 P CA 0.298 63.289 63.100 -0.182 0.000 0.768 1051 P CB 0.258 31.825 31.700 -0.221 0.000 0.838 1052 Y N 2.721 122.865 120.300 -0.261 0.000 2.504 1052 Y HA 0.569 5.119 4.550 0.000 0.000 0.344 1052 Y C -1.644 174.098 175.900 -0.263 0.000 1.023 1052 Y CA -1.029 56.917 58.100 -0.257 0.000 1.020 1052 Y CB 1.627 40.004 38.460 -0.138 0.000 1.282 1052 Y HN 0.117 nan 8.280 nan 0.000 0.454 1053 V N 7.011 126.257 119.914 -1.112 0.000 2.577 1053 V HA 0.305 4.425 4.120 0.000 0.000 0.303 1053 V C -0.971 174.432 176.094 -1.152 0.000 1.042 1053 V CA -1.001 60.745 62.300 -0.923 0.000 0.872 1053 V CB 1.638 33.092 31.823 -0.615 0.000 0.998 1053 V HN 0.690 nan 8.190 nan 0.000 0.423 1054 F N 5.516 124.866 119.950 -1.001 0.000 2.438 1054 F HA 0.644 5.171 4.527 0.000 0.000 0.356 1054 F C 0.147 175.744 175.800 -0.339 0.000 1.099 1054 F CA -0.209 57.405 58.000 -0.643 0.000 1.185 1054 F CB 0.832 39.655 39.000 -0.295 0.000 1.115 1054 F HN 0.549 nan 8.300 nan 0.000 0.526 1055 K N 5.463 125.203 120.400 -1.100 0.000 2.259 1055 K HA 0.892 5.212 4.320 0.000 0.000 0.252 1055 K C -1.960 174.199 176.600 -0.735 0.000 0.936 1055 K CA -0.377 55.480 56.287 -0.716 0.000 0.810 1055 K CB 1.852 34.028 32.500 -0.539 0.000 1.143 1055 K HN 0.834 nan 8.250 nan 0.000 0.427 1056 A N 1.758 124.489 122.820 -0.148 0.000 2.599 1056 A HA 0.585 4.905 4.320 0.000 0.000 0.294 1056 A C -1.347 176.419 177.584 0.304 0.000 1.055 1056 A CA -0.874 51.223 52.037 0.100 0.000 0.683 1056 A CB 1.509 20.696 19.000 0.312 0.000 1.278 1056 A HN 0.608 nan 8.150 nan 0.000 0.412 1057 S N 0.423 116.245 115.700 0.203 0.000 2.508 1057 S HA 0.519 4.990 4.470 0.000 0.000 0.284 1057 S C 0.597 175.289 174.600 0.154 0.000 1.192 1057 S CA -0.217 58.067 58.200 0.140 0.000 1.070 1057 S CB 0.276 63.498 63.200 0.036 0.000 1.004 1057 S HN 0.969 nan 8.310 nan 0.000 0.493 1058 F N 0.653 120.720 119.950 0.196 0.000 2.664 1058 F HA 0.476 5.003 4.527 0.000 0.000 0.296 1058 F C 0.428 176.249 175.800 0.035 0.000 1.125 1058 F CA -0.347 57.695 58.000 0.071 0.000 1.444 1058 F CB 0.063 39.117 39.000 0.090 0.000 1.114 1058 F HN 0.443 nan 8.300 nan 0.000 0.576 1059 D N 0.158 120.384 120.400 -0.291 0.000 2.837 1059 D HA 0.257 4.897 4.640 0.000 0.000 0.220 1059 D C -1.492 174.612 176.300 -0.327 0.000 1.236 1059 D CA -0.669 53.185 54.000 -0.244 0.000 0.838 1059 D CB 1.508 42.203 40.800 -0.175 0.000 1.647 1059 D HN -0.112 nan 8.370 nan 0.000 0.486 1060 K N 2.819 123.054 120.400 -0.276 0.000 2.357 1060 K HA 0.513 4.833 4.320 0.000 0.000 0.251 1060 K C 0.015 176.442 176.600 -0.288 0.000 1.069 1060 K CA -0.444 55.701 56.287 -0.237 0.000 0.994 1060 K CB 1.420 33.841 32.500 -0.132 0.000 1.411 1060 K HN 0.461 nan 8.250 nan 0.000 0.450 1061 A N 2.902 125.439 122.820 -0.472 0.000 2.238 1061 A HA -0.064 4.256 4.320 0.000 0.000 0.208 1061 A C 0.752 178.233 177.584 -0.173 0.000 1.177 1061 A CA 0.461 52.261 52.037 -0.394 0.000 0.804 1061 A CB -0.578 18.013 19.000 -0.682 0.000 0.823 1061 A HN 0.838 nan 8.150 nan 0.000 0.482 1062 N N -1.424 117.212 118.700 -0.107 0.000 2.628 1062 N HA 0.231 4.971 4.740 0.000 0.000 0.299 1062 N C 0.025 175.552 175.510 0.029 0.000 1.834 1062 N CA -0.598 52.456 53.050 0.007 0.000 0.871 1062 N CB 0.625 39.182 38.487 0.117 0.000 1.377 1062 N HN 0.145 nan 8.380 nan 0.000 0.493 1063 R N 0.210 120.706 120.500 -0.006 0.000 2.696 1063 R HA 0.208 4.548 4.340 0.000 0.000 0.218 1063 R C 1.524 177.837 176.300 0.022 0.000 1.202 1063 R CA 0.351 56.460 56.100 0.015 0.000 1.043 1063 R CB 0.176 30.479 30.300 0.005 0.000 1.292 1063 R HN 0.326 nan 8.270 nan 0.000 0.521 1064 S N -0.539 115.177 115.700 0.026 0.000 2.404 1064 S HA -0.026 4.444 4.470 0.000 0.000 0.223 1064 S C 0.761 175.371 174.600 0.016 0.000 1.040 1064 S CA 0.387 58.601 58.200 0.023 0.000 0.957 1064 S CB 0.030 63.249 63.200 0.031 0.000 0.826 1064 S HN 0.544 nan 8.310 nan 0.000 0.491 1065 S N -0.243 115.471 115.700 0.022 0.000 2.532 1065 S HA 0.586 5.056 4.470 0.000 0.000 0.301 1065 S C 0.670 175.253 174.600 -0.028 0.000 1.083 1065 S CA -0.880 57.334 58.200 0.023 0.000 1.025 1065 S CB 0.929 64.178 63.200 0.082 0.000 1.056 1065 S HN 0.298 nan 8.310 nan 0.000 0.494 1066 I N 1.064 121.567 120.570 -0.113 0.000 2.657 1066 I HA -0.188 3.982 4.170 0.000 0.000 0.261 1066 I C 1.340 177.244 176.117 -0.356 0.000 1.212 1066 I CA 1.331 62.475 61.300 -0.259 0.000 1.453 1066 I CB -0.391 37.389 38.000 -0.368 0.000 1.092 1066 I HN 0.787 nan 8.210 nan 0.000 0.452 1067 H N -1.302 117.779 119.070 0.018 0.000 2.622 1067 H HA 0.215 4.771 4.556 0.000 0.000 0.269 1067 H C 1.084 176.440 175.328 0.047 0.000 0.977 1067 H CA -0.201 55.865 56.048 0.029 0.000 1.179 1067 H CB 0.283 30.061 29.762 0.028 0.000 1.458 1067 H HN 0.052 nan 8.280 nan 0.000 0.531 1068 S N 0.912 116.682 115.700 0.117 0.000 2.568 1068 S HA -0.094 4.376 4.470 0.000 0.000 0.282 1068 S C -0.309 174.368 174.600 0.129 0.000 1.338 1068 S CA -0.391 57.880 58.200 0.117 0.000 1.045 1068 S CB 0.199 63.447 63.200 0.079 0.000 0.873 1068 S HN 0.337 nan 8.310 nan 0.000 0.516 1069 Y N 2.574 122.897 120.300 0.038 0.000 2.717 1069 Y HA -0.005 4.545 4.550 0.000 0.000 0.330 1069 Y C 1.265 177.178 175.900 0.022 0.000 1.217 1069 Y CA 0.468 58.588 58.100 0.034 0.000 1.506 1069 Y CB 0.245 38.726 38.460 0.035 0.000 1.268 1069 Y HN 0.624 nan 8.280 nan 0.000 0.561 1070 R N 3.683 123.864 120.500 -0.532 0.000 2.437 1070 R HA 0.352 4.692 4.340 0.000 0.000 0.257 1070 R C 0.434 176.363 176.300 -0.618 0.000 0.927 1070 R CA 0.294 56.130 56.100 -0.441 0.000 1.078 1070 R CB 0.505 30.664 30.300 -0.236 0.000 1.161 1070 R HN 1.010 nan 8.270 nan 0.000 0.529 1071 G N 1.452 109.478 108.800 -1.290 0.000 2.434 1071 G HA2 -0.152 3.808 3.960 0.000 0.000 0.671 1071 G HA3 -0.152 3.808 3.960 0.000 0.000 0.671 1071 G C -2.349 172.370 174.900 -0.303 0.000 1.280 1071 G CA -0.719 43.947 45.100 -0.723 0.000 0.975 1071 G HN -0.074 nan 8.290 nan 0.000 0.510 1072 P HA 0.314 nan 4.420 nan 0.000 0.241 1072 P C 1.110 178.442 177.300 0.053 0.000 1.191 1072 P CA 1.893 65.026 63.100 0.056 0.000 0.771 1072 P CB 0.164 31.906 31.700 0.070 0.000 0.929 1073 G N 0.754 109.611 108.800 0.094 0.000 2.730 1073 G HA2 -0.196 3.764 3.960 0.000 0.000 0.686 1073 G HA3 -0.196 3.764 3.960 0.000 0.000 0.686 1073 G C 0.079 175.058 174.900 0.132 0.000 1.343 1073 G CA -0.341 44.847 45.100 0.146 0.000 0.826 1073 G HN 0.208 nan 8.290 nan 0.000 0.582 1074 L N 0.905 122.159 121.223 0.051 0.000 1.971 1074 L HA -0.040 4.300 4.340 0.000 0.000 0.215 1074 L C 2.441 179.145 176.870 -0.276 0.000 1.072 1074 L CA 3.355 57.947 54.840 -0.414 0.000 0.758 1074 L CB -1.338 40.521 42.059 -0.334 0.000 0.889 1074 L HN 1.011 nan 8.230 nan 0.000 0.433 1075 E N -0.719 119.405 120.200 -0.127 0.000 2.023 1075 E HA -0.318 4.032 4.350 0.000 0.000 0.196 1075 E C 2.083 178.642 176.600 -0.069 0.000 1.003 1075 E CA 1.680 58.029 56.400 -0.085 0.000 0.809 1075 E CB -0.131 29.544 29.700 -0.041 0.000 0.755 1075 E HN 0.536 nan 8.360 nan 0.000 0.449 1076 E N -0.220 119.953 120.200 -0.045 0.000 2.153 1076 E HA -0.100 4.250 4.350 0.000 0.000 0.194 1076 E C 1.831 178.389 176.600 -0.070 0.000 0.988 1076 E CA 1.517 57.897 56.400 -0.034 0.000 0.811 1076 E CB -0.678 29.020 29.700 -0.003 0.000 0.746 1076 E HN 0.370 nan 8.360 nan 0.000 0.466 1077 G N 0.201 108.942 108.800 -0.097 0.000 2.422 1077 G HA2 -0.224 3.736 3.960 0.000 0.000 0.218 1077 G HA3 -0.224 3.736 3.960 0.000 0.000 0.218 1077 G C 1.447 176.182 174.900 -0.275 0.000 1.146 1077 G CA 1.060 46.040 45.100 -0.200 0.000 0.769 1077 G HN 0.183 nan 8.290 nan 0.000 0.547 1078 M N 0.287 119.815 119.600 -0.120 0.000 2.159 1078 M HA 0.031 4.511 4.480 0.000 0.000 0.263 1078 M C 2.413 178.731 176.300 0.030 0.000 1.063 1078 M CA 1.098 56.420 55.300 0.037 0.000 1.110 1078 M CB -0.824 31.774 32.600 -0.003 0.000 1.374 1078 M HN 0.055 nan 8.290 nan 0.000 0.411 1079 K N 0.728 121.113 120.400 -0.025 0.000 2.020 1079 K HA -0.059 4.261 4.320 0.000 0.000 0.212 1079 K C 1.893 178.487 176.600 -0.012 0.000 1.050 1079 K CA 1.395 57.675 56.287 -0.012 0.000 0.929 1079 K CB -0.728 31.759 32.500 -0.022 0.000 0.714 1079 K HN 0.305 nan 8.250 nan 0.000 0.443 1080 I N -0.300 120.229 120.570 -0.069 0.000 2.163 1080 I HA -0.282 3.888 4.170 0.000 0.000 0.243 1080 I C 1.831 177.951 176.117 0.005 0.000 1.085 1080 I CA 1.143 62.400 61.300 -0.073 0.000 1.347 1080 I CB -0.332 37.579 38.000 -0.149 0.000 1.044 1080 I HN 0.020 nan 8.210 nan 0.000 0.408 1081 F N 1.202 121.185 119.950 0.054 0.000 2.091 1081 F HA -0.263 4.264 4.527 0.000 0.000 0.299 1081 F C 2.782 178.589 175.800 0.012 0.000 1.103 1081 F CA 1.278 59.307 58.000 0.048 0.000 1.228 1081 F CB -1.100 37.946 39.000 0.076 0.000 0.984 1081 F HN 0.136 nan 8.300 nan 0.000 0.477 1082 Q N 0.198 120.114 119.800 0.194 0.000 2.030 1082 Q HA -0.268 4.072 4.340 0.000 0.000 0.204 1082 Q C 2.270 178.300 176.000 0.051 0.000 0.986 1082 Q CA 1.910 57.770 55.803 0.095 0.000 0.843 1082 Q CB -0.886 27.887 28.738 0.057 0.000 0.904 1082 Q HN 0.607 nan 8.270 nan 0.000 0.420 1083 E N 0.537 120.757 120.200 0.033 0.000 2.160 1083 E HA -0.166 4.184 4.350 0.000 0.000 0.195 1083 E C 2.073 178.665 176.600 -0.014 0.000 0.991 1083 E CA 0.740 57.136 56.400 -0.007 0.000 0.810 1083 E CB -0.109 29.583 29.700 -0.013 0.000 0.742 1083 E HN 0.289 nan 8.360 nan 0.000 0.466 1084 L N 0.257 121.508 121.223 0.047 0.000 2.109 1084 L HA -0.118 4.222 4.340 0.000 0.000 0.207 1084 L C 2.622 179.549 176.870 0.095 0.000 1.086 1084 L CA 1.088 55.984 54.840 0.094 0.000 0.760 1084 L CB -0.293 41.778 42.059 0.019 0.000 0.910 1084 L HN 0.096 nan 8.230 nan 0.000 0.437 1085 K N -0.507 119.930 120.400 0.061 0.000 2.025 1085 K HA -0.166 4.154 4.320 0.000 0.000 0.207 1085 K C 2.236 178.840 176.600 0.007 0.000 1.049 1085 K CA 1.031 57.344 56.287 0.043 0.000 0.933 1085 K CB -0.044 32.477 32.500 0.036 0.000 0.714 1085 K HN 0.201 nan 8.250 nan 0.000 0.438 1086 Q N 0.121 119.906 119.800 -0.025 0.000 2.084 1086 Q HA -0.095 4.245 4.340 0.000 0.000 0.202 1086 Q C 2.110 178.031 176.000 -0.133 0.000 0.978 1086 Q CA 1.649 57.415 55.803 -0.061 0.000 0.844 1086 Q CB -0.598 28.104 28.738 -0.060 0.000 0.898 1086 Q HN 0.300 nan 8.270 nan 0.000 0.426 1087 T N -0.083 114.328 114.554 -0.238 0.000 2.904 1087 T HA -0.020 4.330 4.350 0.000 0.000 0.267 1087 T C 0.811 175.113 174.700 -0.663 0.000 1.059 1087 T CA 0.977 62.756 62.100 -0.534 0.000 1.137 1087 T CB -0.066 68.296 68.868 -0.845 0.000 0.879 1087 T HN 0.162 nan 8.240 nan 0.000 0.467 1088 F N -0.543 119.392 119.950 -0.026 0.000 2.817 1088 F HA 0.439 4.966 4.527 0.000 0.000 0.333 1088 F C 1.640 177.435 175.800 -0.007 0.000 1.085 1088 F CA -0.510 57.481 58.000 -0.015 0.000 1.170 1088 F CB 0.067 39.056 39.000 -0.018 0.000 1.066 1088 F HN 0.159 nan 8.300 nan 0.000 0.564 1089 G N 2.064 110.937 108.800 0.123 0.000 2.249 1089 G HA2 -0.210 3.750 3.960 0.000 0.000 0.273 1089 G HA3 -0.210 3.750 3.960 0.000 0.000 0.273 1089 G C 0.070 175.017 174.900 0.079 0.000 1.036 1089 G CA 0.271 45.416 45.100 0.075 0.000 0.824 1089 G HN 0.517 nan 8.290 nan 0.000 0.504 1090 V N -3.154 116.818 119.914 0.096 0.000 2.567 1090 V HA 0.738 4.858 4.120 0.000 0.000 0.289 1090 V C 0.666 176.750 176.094 -0.017 0.000 1.049 1090 V CA -1.445 60.885 62.300 0.051 0.000 0.969 1090 V CB 1.351 33.210 31.823 0.059 0.000 0.995 1090 V HN 0.316 nan 8.190 nan 0.000 0.471 1091 K N 3.694 124.047 120.400 -0.078 0.000 2.168 1091 K HA 0.671 4.991 4.320 0.000 0.000 0.258 1091 K C -0.708 175.814 176.600 -0.130 0.000 1.010 1091 K CA -0.237 55.986 56.287 -0.107 0.000 0.929 1091 K CB 1.082 33.499 32.500 -0.139 0.000 0.998 1091 K HN 0.676 nan 8.250 nan 0.000 0.479 1092 I N 2.215 122.706 120.570 -0.131 0.000 2.686 1092 I HA 0.409 4.579 4.170 0.000 0.000 0.295 1092 I C -0.894 175.110 176.117 -0.188 0.000 1.114 1092 I CA -0.909 60.291 61.300 -0.167 0.000 1.038 1092 I CB 1.955 39.776 38.000 -0.298 0.000 1.238 1092 I HN 0.535 nan 8.210 nan 0.000 0.420 1093 I N 4.058 124.527 120.570 -0.169 0.000 2.509 1093 I HA 0.628 4.798 4.170 0.000 0.000 0.293 1093 I C -0.933 175.123 176.117 -0.101 0.000 1.020 1093 I CA 0.154 61.400 61.300 -0.090 0.000 1.088 1093 I CB 2.054 40.084 38.000 0.051 0.000 1.267 1093 I HN 0.623 nan 8.210 nan 0.000 0.430 1094 T N 4.452 118.983 114.554 -0.038 0.000 2.853 1094 T HA 0.378 4.728 4.350 0.000 0.000 0.311 1094 T C -1.787 172.946 174.700 0.056 0.000 1.307 1094 T CA -0.667 61.483 62.100 0.084 0.000 1.019 1094 T CB 1.286 70.321 68.868 0.279 0.000 1.264 1094 T HN 0.722 nan 8.240 nan 0.000 0.497 1095 D N 1.499 121.890 120.400 -0.015 0.000 2.253 1095 D HA 0.533 5.173 4.640 0.000 0.000 0.249 1095 D C 0.263 176.319 176.300 -0.407 0.000 1.049 1095 D CA -0.569 53.325 54.000 -0.177 0.000 0.929 1095 D CB 1.168 41.861 40.800 -0.179 0.000 1.176 1095 D HN 0.478 nan 8.370 nan 0.000 0.437 1096 V N -1.452 118.203 119.914 -0.430 0.000 2.715 1096 V HA 0.543 4.663 4.120 0.000 0.000 0.310 1096 V C -0.383 175.323 176.094 -0.647 0.000 1.054 1096 V CA -0.668 61.389 62.300 -0.405 0.000 0.928 1096 V CB 1.647 33.459 31.823 -0.019 0.000 1.007 1096 V HN 0.707 nan 8.190 nan 0.000 0.437 1097 H N 0.330 119.441 119.070 0.068 0.000 3.241 1097 H HA 0.490 5.046 4.556 0.000 0.000 0.260 1097 H C -0.090 175.274 175.328 0.059 0.000 1.084 1097 H CA -0.078 55.993 56.048 0.039 0.000 1.203 1097 H CB 0.767 30.530 29.762 0.001 0.000 1.524 1097 H HN 0.740 nan 8.280 nan 0.000 0.521 1098 E N 0.330 120.619 120.200 0.148 0.000 2.340 1098 E HA 0.170 4.520 4.350 0.000 0.000 0.273 1098 E C -2.201 174.447 176.600 0.080 0.000 0.891 1098 E CA -1.946 54.520 56.400 0.110 0.000 0.757 1098 E CB 2.531 32.300 29.700 0.115 0.000 1.231 1098 E HN -0.135 nan 8.360 nan 0.000 0.439 1099 P HA -0.232 nan 4.420 nan 0.000 0.216 1099 P C 1.374 178.701 177.300 0.046 0.000 1.157 1099 P CA 1.870 64.994 63.100 0.040 0.000 0.880 1099 P CB 0.100 31.815 31.700 0.026 0.000 0.791 1100 S N -1.660 114.070 115.700 0.049 0.000 2.595 1100 S HA -0.116 4.354 4.470 0.000 0.000 0.235 1100 S C 1.701 176.335 174.600 0.056 0.000 0.974 1100 S CA 0.705 58.933 58.200 0.046 0.000 0.942 1100 S CB -0.899 62.325 63.200 0.041 0.000 0.766 1100 S HN 0.284 nan 8.310 nan 0.000 0.536 1101 Q N 0.308 120.156 119.800 0.080 0.000 2.391 1101 Q HA 0.348 4.688 4.340 0.000 0.000 0.211 1101 Q C 2.459 178.507 176.000 0.081 0.000 0.908 1101 Q CA 0.545 56.407 55.803 0.098 0.000 0.920 1101 Q CB -0.297 28.559 28.738 0.197 0.000 1.056 1101 Q HN 0.669 nan 8.270 nan 0.000 0.523 1102 A N 1.393 124.256 122.820 0.072 0.000 1.869 1102 A HA -0.346 3.974 4.320 0.000 0.000 0.218 1102 A C 2.092 179.706 177.584 0.049 0.000 1.203 1102 A CA 2.164 54.240 52.037 0.064 0.000 0.638 1102 A CB -0.636 18.400 19.000 0.060 0.000 0.831 1102 A HN 0.265 nan 8.150 nan 0.000 0.450 1103 Q N -0.074 119.748 119.800 0.037 0.000 2.046 1103 Q HA -0.048 4.292 4.340 0.000 0.000 0.200 1103 Q C -0.650 175.360 176.000 0.017 0.000 0.975 1103 Q CA 2.206 58.025 55.803 0.026 0.000 0.836 1103 Q CB -1.216 27.535 28.738 0.022 0.000 0.896 1103 Q HN 0.475 nan 8.270 nan 0.000 0.428 1104 P HA -0.123 nan 4.420 nan 0.000 0.218 1104 P C 1.061 178.354 177.300 -0.012 0.000 1.148 1104 P CA 1.091 64.187 63.100 -0.006 0.000 0.822 1104 P CB 0.059 31.748 31.700 -0.019 0.000 0.784 1105 V N -0.195 119.718 119.914 -0.002 0.000 2.488 1105 V HA -0.121 3.999 4.120 0.000 0.000 0.246 1105 V C 2.420 178.525 176.094 0.018 0.000 1.046 1105 V CA 1.885 64.191 62.300 0.010 0.000 1.053 1105 V CB -1.602 30.262 31.823 0.068 0.000 0.679 1105 V HN 0.070 nan 8.190 nan 0.000 0.458 1106 A N -0.016 122.817 122.820 0.022 0.000 1.933 1106 A HA -0.255 4.065 4.320 0.000 0.000 0.218 1106 A C 1.910 179.496 177.584 0.004 0.000 1.175 1106 A CA 1.958 54.002 52.037 0.013 0.000 0.628 1106 A CB -0.603 18.410 19.000 0.022 0.000 0.814 1106 A HN 0.520 nan 8.150 nan 0.000 0.444 1107 D N -0.569 119.835 120.400 0.007 0.000 2.221 1107 D HA -0.090 4.550 4.640 0.000 0.000 0.204 1107 D C 1.821 178.123 176.300 0.004 0.000 0.982 1107 D CA 1.448 55.450 54.000 0.005 0.000 0.857 1107 D CB -0.031 40.771 40.800 0.005 0.000 0.934 1107 D HN 0.310 nan 8.370 nan 0.000 0.475 1108 V N -0.074 119.844 119.914 0.006 0.000 2.922 1108 V HA 0.027 4.147 4.120 0.000 0.000 0.242 1108 V C 1.121 177.201 176.094 -0.022 0.000 1.094 1108 V CA 0.414 62.723 62.300 0.015 0.000 1.106 1108 V CB 0.537 32.395 31.823 0.058 0.000 0.799 1108 V HN 0.045 nan 8.190 nan 0.000 0.474 1109 V N -2.270 117.610 119.914 -0.057 0.000 3.211 1109 V HA 0.488 4.608 4.120 0.000 0.000 0.319 1109 V C 0.598 176.646 176.094 -0.077 0.000 1.096 1109 V CA -0.313 61.912 62.300 -0.124 0.000 1.029 1109 V CB 1.476 33.164 31.823 -0.225 0.000 1.137 1109 V HN 0.224 nan 8.190 nan 0.000 0.453 1110 D N 0.157 120.505 120.400 -0.087 0.000 2.277 1110 D HA 0.166 4.806 4.640 0.000 0.000 0.209 1110 D C 0.129 176.411 176.300 -0.030 0.000 0.970 1110 D CA 1.114 55.083 54.000 -0.051 0.000 0.874 1110 D CB 1.193 41.959 40.800 -0.056 0.000 0.982 1110 D HN 0.402 nan 8.370 nan 0.000 0.504 1111 V N 2.798 122.692 119.914 -0.033 0.000 2.577 1111 V HA 0.333 4.453 4.120 0.000 0.000 0.303 1111 V C -0.073 176.009 176.094 -0.021 0.000 1.042 1111 V CA -0.933 61.362 62.300 -0.008 0.000 0.872 1111 V CB 2.229 34.084 31.823 0.053 0.000 0.998 1111 V HN 0.002 nan 8.190 nan 0.000 0.423 1112 I N 1.675 122.234 120.570 -0.019 0.000 2.412 1112 I HA 0.721 4.891 4.170 0.000 0.000 0.296 1112 I C -0.398 175.703 176.117 -0.027 0.000 0.987 1112 I CA -0.562 60.735 61.300 -0.005 0.000 1.180 1112 I CB 1.553 39.566 38.000 0.023 0.000 1.340 1112 I HN 0.704 nan 8.210 nan 0.000 0.455 1113 Q N 4.728 124.509 119.800 -0.032 0.000 2.271 1113 Q HA 0.449 4.789 4.340 0.000 0.000 0.258 1113 Q C -1.498 174.461 176.000 -0.068 0.000 0.936 1113 Q CA -0.969 54.798 55.803 -0.061 0.000 0.909 1113 Q CB 2.174 30.883 28.738 -0.048 0.000 1.253 1113 Q HN 0.782 nan 8.270 nan 0.000 0.440 1114 L N 7.192 128.386 121.223 -0.048 0.000 2.268 1114 L HA 0.490 4.830 4.340 0.000 0.000 0.289 1114 L C -2.492 174.343 176.870 -0.059 0.000 1.064 1114 L CA -1.918 52.919 54.840 -0.005 0.000 0.824 1114 L CB 0.855 42.975 42.059 0.103 0.000 1.202 1114 L HN 0.558 nan 8.230 nan 0.000 0.433 1115 P HA 0.056 nan 4.420 nan 0.000 0.267 1115 P C 0.191 177.439 177.300 -0.087 0.000 1.200 1115 P CA 0.299 63.336 63.100 -0.105 0.000 0.772 1115 P CB 0.713 32.393 31.700 -0.033 0.000 0.855 1116 A N 2.660 125.365 122.820 -0.192 0.000 1.892 1116 A HA -0.231 4.089 4.320 0.000 0.000 0.218 1116 A C 1.706 179.374 177.584 0.140 0.000 1.188 1116 A CA 1.813 53.772 52.037 -0.130 0.000 0.631 1116 A CB -1.646 17.207 19.000 -0.244 0.000 0.822 1116 A HN 0.508 nan 8.150 nan 0.000 0.447 1117 F N -0.316 119.709 119.950 0.125 0.000 2.333 1117 F HA 0.008 4.535 4.527 0.000 0.000 0.300 1117 F C 1.715 177.624 175.800 0.183 0.000 1.083 1117 F CA 0.442 58.582 58.000 0.234 0.000 1.395 1117 F CB -0.669 38.412 39.000 0.136 0.000 1.056 1117 F HN 0.110 nan 8.300 nan 0.000 0.529 1118 L N -1.058 120.333 121.223 0.281 0.000 2.640 1118 L HA 0.307 4.647 4.340 0.000 0.000 0.230 1118 L C 2.193 179.139 176.870 0.127 0.000 1.123 1118 L CA 0.259 55.208 54.840 0.181 0.000 0.900 1118 L CB -0.696 41.446 42.059 0.138 0.000 1.146 1118 L HN -0.009 nan 8.230 nan 0.000 0.484 1119 A N 0.756 123.649 122.820 0.121 0.000 2.139 1119 A HA -0.162 4.158 4.320 0.000 0.000 0.221 1119 A C 2.258 179.885 177.584 0.072 0.000 1.159 1119 A CA 1.460 53.544 52.037 0.080 0.000 0.662 1119 A CB -0.349 18.667 19.000 0.027 0.000 0.796 1119 A HN 0.443 nan 8.150 nan 0.000 0.463 1120 R N -0.875 119.678 120.500 0.089 0.000 2.397 1120 R HA 0.099 4.439 4.340 0.000 0.000 0.241 1120 R C -0.382 175.938 176.300 0.032 0.000 0.914 1120 R CA -0.197 55.939 56.100 0.060 0.000 1.071 1120 R CB 0.316 30.670 30.300 0.089 0.000 1.116 1120 R HN 0.392 nan 8.270 nan 0.000 0.524 1121 Q N 1.148 120.969 119.800 0.035 0.000 2.325 1121 Q HA 0.050 4.390 4.340 0.000 0.000 0.256 1121 Q C 0.707 176.691 176.000 -0.028 0.000 1.142 1121 Q CA 0.465 56.277 55.803 0.015 0.000 0.902 1121 Q CB 1.057 29.815 28.738 0.034 0.000 1.350 1121 Q HN 0.067 nan 8.270 nan 0.000 0.449 1122 T N 1.759 116.290 114.554 -0.038 0.000 2.699 1122 T HA -0.168 4.182 4.350 0.000 0.000 0.268 1122 T C 0.871 175.524 174.700 -0.079 0.000 1.036 1122 T CA 1.665 63.722 62.100 -0.070 0.000 1.147 1122 T CB 0.103 68.942 68.868 -0.050 0.000 0.862 1122 T HN 0.470 nan 8.240 nan 0.000 0.446 1123 D N 0.632 121.005 120.400 -0.045 0.000 2.144 1123 D HA -0.018 4.622 4.640 0.000 0.000 0.200 1123 D C 1.999 178.274 176.300 -0.042 0.000 0.978 1123 D CA 0.442 54.420 54.000 -0.038 0.000 0.833 1123 D CB -0.421 40.370 40.800 -0.015 0.000 0.961 1123 D HN 0.184 nan 8.370 nan 0.000 0.470 1124 L N 0.548 121.751 121.223 -0.034 0.000 2.056 1124 L HA -0.103 4.237 4.340 0.000 0.000 0.207 1124 L C 2.174 179.003 176.870 -0.068 0.000 1.078 1124 L CA 1.285 56.114 54.840 -0.020 0.000 0.749 1124 L CB -0.584 41.481 42.059 0.011 0.000 0.901 1124 L HN -0.133 nan 8.230 nan 0.000 0.433 1125 V N -0.035 119.776 119.914 -0.171 0.000 2.295 1125 V HA -0.312 3.808 4.120 0.000 0.000 0.246 1125 V C 2.617 178.453 176.094 -0.430 0.000 1.049 1125 V CA 2.054 64.077 62.300 -0.462 0.000 1.024 1125 V CB -0.615 30.837 31.823 -0.618 0.000 0.648 1125 V HN 0.627 nan 8.190 nan 0.000 0.447 1126 E N 0.154 120.205 120.200 -0.248 0.000 2.072 1126 E HA -0.199 4.151 4.350 0.000 0.000 0.191 1126 E C 2.223 178.782 176.600 -0.068 0.000 0.985 1126 E CA 1.302 57.609 56.400 -0.155 0.000 0.801 1126 E CB -0.265 29.374 29.700 -0.101 0.000 0.750 1126 E HN 0.545 nan 8.360 nan 0.000 0.452 1127 A N 0.867 123.663 122.820 -0.040 0.000 1.902 1127 A HA -0.198 4.122 4.320 0.000 0.000 0.217 1127 A C 2.218 179.824 177.584 0.036 0.000 1.181 1127 A CA 1.763 53.801 52.037 0.003 0.000 0.623 1127 A CB -0.531 18.476 19.000 0.012 0.000 0.818 1127 A HN 0.328 nan 8.150 nan 0.000 0.443 1128 M N -0.680 118.955 119.600 0.058 0.000 2.117 1128 M HA -0.139 4.341 4.480 0.000 0.000 0.262 1128 M C 2.565 178.992 176.300 0.212 0.000 1.065 1128 M CA 1.425 56.817 55.300 0.153 0.000 1.114 1128 M CB -0.415 32.342 32.600 0.262 0.000 1.361 1128 M HN 0.488 nan 8.290 nan 0.000 0.408 1129 A N 0.498 123.450 122.820 0.219 0.000 1.877 1129 A HA -0.189 4.131 4.320 0.000 0.000 0.216 1129 A C 2.075 179.736 177.584 0.128 0.000 1.186 1129 A CA 1.774 53.967 52.037 0.259 0.000 0.620 1129 A CB -0.605 18.493 19.000 0.163 0.000 0.822 1129 A HN 0.417 nan 8.150 nan 0.000 0.443 1130 K N -1.141 119.300 120.400 0.069 0.000 2.281 1130 K HA -0.111 4.209 4.320 0.000 0.000 0.203 1130 K C 1.960 178.589 176.600 0.047 0.000 1.046 1130 K CA 1.400 57.714 56.287 0.045 0.000 0.938 1130 K CB -0.301 32.214 32.500 0.026 0.000 0.737 1130 K HN 0.465 nan 8.250 nan 0.000 0.458 1131 T N -0.714 113.875 114.554 0.059 0.000 2.881 1131 T HA -0.084 4.266 4.350 0.000 0.000 0.270 1131 T C 1.282 176.007 174.700 0.042 0.000 1.068 1131 T CA 1.430 63.559 62.100 0.048 0.000 1.131 1131 T CB -0.249 68.653 68.868 0.056 0.000 0.871 1131 T HN 0.599 nan 8.240 nan 0.000 0.479 1132 G N 0.467 109.298 108.800 0.052 0.000 2.179 1132 G HA2 -0.155 3.805 3.960 0.000 0.000 0.260 1132 G HA3 -0.155 3.805 3.960 0.000 0.000 0.260 1132 G C 0.304 175.219 174.900 0.026 0.000 0.977 1132 G CA 0.336 45.459 45.100 0.038 0.000 0.641 1132 G HN 0.944 nan 8.290 nan 0.000 0.533 1133 A N -0.531 122.305 122.820 0.027 0.000 2.327 1133 A HA 0.719 5.039 4.320 0.000 0.000 0.255 1133 A C 0.860 178.436 177.584 -0.012 0.000 1.099 1133 A CA 0.379 52.421 52.037 0.008 0.000 0.801 1133 A CB 0.679 19.685 19.000 0.010 0.000 1.062 1133 A HN 1.149 nan 8.150 nan 0.000 0.496 1134 V N 1.539 121.439 119.914 -0.023 0.000 2.614 1134 V HA 0.179 4.299 4.120 0.000 0.000 0.291 1134 V C -0.018 176.026 176.094 -0.083 0.000 1.049 1134 V CA -0.050 62.223 62.300 -0.044 0.000 1.038 1134 V CB 0.754 32.571 31.823 -0.011 0.000 0.980 1134 V HN 0.533 nan 8.190 nan 0.000 0.481 1135 I N 4.289 124.758 120.570 -0.169 0.000 2.441 1135 I HA 0.382 4.552 4.170 0.000 0.000 0.295 1135 I C 0.065 176.032 176.117 -0.249 0.000 0.994 1135 I CA -0.360 60.783 61.300 -0.261 0.000 1.144 1135 I CB 1.513 39.149 38.000 -0.606 0.000 1.314 1135 I HN 0.689 nan 8.210 nan 0.000 0.445 1136 N N 5.407 123.983 118.700 -0.207 0.000 2.479 1136 N HA 0.393 5.133 4.740 0.000 0.000 0.261 1136 N C -1.543 173.849 175.510 -0.197 0.000 0.979 1136 N CA -0.309 52.609 53.050 -0.221 0.000 0.930 1136 N CB 1.862 40.213 38.487 -0.226 0.000 1.172 1136 N HN 0.281 nan 8.380 nan 0.000 0.499 1137 V N 4.299 124.097 119.914 -0.194 0.000 2.364 1137 V HA 0.214 4.334 4.120 0.000 0.000 0.272 1137 V C 0.095 176.099 176.094 -0.150 0.000 1.036 1137 V CA -0.653 61.567 62.300 -0.133 0.000 0.880 1137 V CB 1.022 32.795 31.823 -0.084 0.000 0.991 1137 V HN 0.541 nan 8.190 nan 0.000 0.460 1138 K N 4.455 124.754 120.400 -0.169 0.000 2.349 1138 K HA 0.170 4.490 4.320 0.000 0.000 0.288 1138 K C 0.115 176.616 176.600 -0.165 0.000 1.058 1138 K CA -0.142 56.016 56.287 -0.215 0.000 0.953 1138 K CB 0.525 32.858 32.500 -0.277 0.000 0.997 1138 K HN 0.604 nan 8.250 nan 0.000 0.477 1139 K N 4.620 124.932 120.400 -0.148 0.000 2.416 1139 K HA 0.089 4.409 4.320 0.000 0.000 0.283 1139 K C -2.286 174.187 176.600 -0.212 0.000 1.037 1139 K CA -1.338 54.859 56.287 -0.149 0.000 0.995 1139 K CB 0.331 32.763 32.500 -0.115 0.000 0.938 1139 K HN 0.149 nan 8.250 nan 0.000 0.475 1140 P HA -0.012 nan 4.420 nan 0.000 0.265 1140 P C -0.437 176.570 177.300 -0.488 0.000 1.193 1140 P CA 0.049 62.790 63.100 -0.599 0.000 0.765 1140 P CB 0.762 31.742 31.700 -1.199 0.000 0.823 1141 Q N 2.188 121.849 119.800 -0.232 0.000 2.291 1141 Q HA -0.122 4.218 4.340 0.000 0.000 0.206 1141 Q C 0.950 176.972 176.000 0.036 0.000 0.976 1141 Q CA 1.586 57.393 55.803 0.006 0.000 0.875 1141 Q CB -0.677 28.190 28.738 0.216 0.000 0.927 1141 Q HN 0.639 nan 8.270 nan 0.000 0.450 1142 F N -3.097 116.899 119.950 0.077 0.000 2.641 1142 F HA 0.465 4.992 4.527 0.000 0.000 0.302 1142 F C -0.086 175.735 175.800 0.035 0.000 1.098 1142 F CA -0.840 57.192 58.000 0.054 0.000 1.318 1142 F CB 0.100 39.130 39.000 0.050 0.000 1.035 1142 F HN -0.303 nan 8.300 nan 0.000 0.551 1143 V N 1.184 120.954 119.914 -0.241 0.000 2.680 1143 V HA 0.434 4.554 4.120 0.000 0.000 0.309 1143 V C 0.157 176.196 176.094 -0.091 0.000 1.052 1143 V CA -1.066 61.155 62.300 -0.131 0.000 0.908 1143 V CB 1.989 33.688 31.823 -0.205 0.000 1.001 1143 V HN 0.388 nan 8.190 nan 0.000 0.431 1144 S N 5.677 121.351 115.700 -0.044 0.000 2.576 1144 S HA 0.274 4.744 4.470 0.000 0.000 0.276 1144 S C -1.269 173.294 174.600 -0.062 0.000 1.339 1144 S CA -0.777 57.396 58.200 -0.045 0.000 1.039 1144 S CB 1.030 64.216 63.200 -0.023 0.000 0.902 1144 S HN 0.655 nan 8.310 nan 0.000 0.516 1145 P HA -0.077 nan 4.420 nan 0.000 0.217 1145 P C 1.547 178.818 177.300 -0.049 0.000 1.148 1145 P CA 1.758 64.811 63.100 -0.078 0.000 0.828 1145 P CB -0.632 31.003 31.700 -0.108 0.000 0.783 1146 G N -0.143 108.634 108.800 -0.038 0.000 2.586 1146 G HA2 -0.194 3.766 3.960 0.000 0.000 0.215 1146 G HA3 -0.194 3.766 3.960 0.000 0.000 0.215 1146 G C 1.513 176.404 174.900 -0.015 0.000 1.128 1146 G CA 0.323 45.410 45.100 -0.022 0.000 0.774 1146 G HN 0.265 nan 8.290 nan 0.000 0.543 1147 Q N -0.434 119.353 119.800 -0.020 0.000 2.319 1147 Q HA 0.217 4.557 4.340 0.000 0.000 0.202 1147 Q C 2.151 178.145 176.000 -0.010 0.000 0.896 1147 Q CA -0.063 55.732 55.803 -0.012 0.000 0.942 1147 Q CB 0.187 28.917 28.738 -0.013 0.000 1.083 1147 Q HN 0.380 nan 8.270 nan 0.000 0.510 1148 M N -0.727 118.864 119.600 -0.015 0.000 2.476 1148 M HA 0.010 4.490 4.480 0.000 0.000 0.262 1148 M C 1.859 178.167 176.300 0.013 0.000 1.079 1148 M CA 0.858 56.154 55.300 -0.007 0.000 1.104 1148 M CB -1.214 31.375 32.600 -0.017 0.000 1.409 1148 M HN 0.137 nan 8.290 nan 0.000 0.467 1149 G N 0.705 109.513 108.800 0.013 0.000 2.432 1149 G HA2 -0.238 3.722 3.960 0.000 0.000 0.219 1149 G HA3 -0.238 3.722 3.960 0.000 0.000 0.219 1149 G C 1.393 176.313 174.900 0.032 0.000 1.135 1149 G CA 0.909 46.022 45.100 0.022 0.000 0.767 1149 G HN 0.461 nan 8.290 nan 0.000 0.550 1150 N N 0.377 119.094 118.700 0.028 0.000 2.188 1150 N HA -0.003 4.737 4.740 0.000 0.000 0.184 1150 N C 2.065 177.605 175.510 0.050 0.000 1.018 1150 N CA 0.817 53.886 53.050 0.031 0.000 0.858 1150 N CB -0.123 38.377 38.487 0.021 0.000 0.989 1150 N HN 0.337 nan 8.380 nan 0.000 0.426 1151 I N -0.079 120.531 120.570 0.066 0.000 2.315 1151 I HA -0.185 3.985 4.170 0.000 0.000 0.248 1151 I C 1.729 177.982 176.117 0.226 0.000 1.117 1151 I CA 0.778 62.153 61.300 0.126 0.000 1.404 1151 I CB -0.302 37.777 38.000 0.132 0.000 1.071 1151 I HN 0.007 nan 8.210 nan 0.000 0.419 1152 V N 0.951 120.956 119.914 0.152 0.000 2.343 1152 V HA -0.273 3.847 4.120 0.000 0.000 0.247 1152 V C 2.083 178.268 176.094 0.152 0.000 1.051 1152 V CA 1.914 64.304 62.300 0.150 0.000 1.036 1152 V CB -0.679 31.182 31.823 0.062 0.000 0.654 1152 V HN 0.396 nan 8.190 nan 0.000 0.451 1153 D N -0.099 120.358 120.400 0.095 0.000 2.144 1153 D HA -0.193 4.447 4.640 0.000 0.000 0.199 1153 D C 2.148 178.486 176.300 0.063 0.000 0.984 1153 D CA 1.350 55.390 54.000 0.067 0.000 0.834 1153 D CB -0.123 40.700 40.800 0.040 0.000 0.955 1153 D HN 0.403 nan 8.370 nan 0.000 0.465 1154 K N -0.356 120.075 120.400 0.052 0.000 2.057 1154 K HA -0.109 4.211 4.320 0.000 0.000 0.206 1154 K C 2.065 178.636 176.600 -0.048 0.000 1.050 1154 K CA 0.765 57.035 56.287 -0.028 0.000 0.935 1154 K CB -0.182 32.266 32.500 -0.087 0.000 0.715 1154 K HN -0.031 nan 8.250 nan 0.000 0.439 1155 F N 1.449 121.398 119.950 -0.001 0.000 2.171 1155 F HA -0.157 4.370 4.527 0.000 0.000 0.300 1155 F C 2.352 178.153 175.800 0.001 0.000 1.090 1155 F CA 1.485 59.484 58.000 -0.001 0.000 1.293 1155 F CB -0.123 38.875 39.000 -0.004 0.000 1.013 1155 F HN 0.029 nan 8.300 nan 0.000 0.486 1156 K N 0.539 121.052 120.400 0.187 0.000 2.057 1156 K HA -0.195 4.125 4.320 0.000 0.000 0.206 1156 K C 1.926 178.564 176.600 0.064 0.000 1.050 1156 K CA 1.573 57.924 56.287 0.107 0.000 0.935 1156 K CB -0.187 32.358 32.500 0.077 0.000 0.715 1156 K HN 0.259 nan 8.250 nan 0.000 0.439 1157 E N -0.680 119.545 120.200 0.042 0.000 2.130 1157 E HA -0.160 4.190 4.350 0.000 0.000 0.196 1157 E C 1.487 178.092 176.600 0.007 0.000 0.998 1157 E CA 1.155 57.563 56.400 0.013 0.000 0.806 1157 E CB -0.095 29.600 29.700 -0.009 0.000 0.738 1157 E HN 0.503 nan 8.360 nan 0.000 0.459 1158 G N -0.833 107.970 108.800 0.006 0.000 3.181 1158 G HA2 0.214 4.174 3.960 0.000 0.000 0.219 1158 G HA3 0.214 4.174 3.960 0.000 0.000 0.219 1158 G C 0.885 175.809 174.900 0.040 0.000 1.182 1158 G CA 0.207 45.309 45.100 0.002 0.000 0.791 1158 G HN 0.377 nan 8.290 nan 0.000 0.537 1159 G N -0.291 108.540 108.800 0.052 0.000 2.141 1159 G HA2 -0.281 3.679 3.960 0.000 0.000 0.242 1159 G HA3 -0.281 3.679 3.960 0.000 0.000 0.242 1159 G C 0.081 175.026 174.900 0.075 0.000 0.982 1159 G CA 0.132 45.265 45.100 0.054 0.000 0.662 1159 G HN 0.618 nan 8.290 nan 0.000 0.527 1160 N N 0.512 119.284 118.700 0.121 0.000 2.443 1160 N HA 0.433 5.173 4.740 0.000 0.000 0.269 1160 N C 0.024 175.592 175.510 0.098 0.000 0.985 1160 N CA -0.358 52.767 53.050 0.125 0.000 0.921 1160 N CB 1.196 39.811 38.487 0.212 0.000 1.195 1160 N HN 0.374 nan 8.380 nan 0.000 0.492 1161 E N 2.129 122.354 120.200 0.042 0.000 2.736 1161 E HA 0.155 4.505 4.350 0.000 0.000 0.208 1161 E C -0.500 176.091 176.600 -0.015 0.000 0.996 1161 E CA 0.073 56.485 56.400 0.019 0.000 1.104 1161 E CB 0.527 30.241 29.700 0.023 0.000 1.111 1161 E HN 0.401 nan 8.360 nan 0.000 0.455 1162 K N 0.948 121.321 120.400 -0.045 0.000 3.135 1162 K HA 0.233 4.553 4.320 0.000 0.000 0.210 1162 K C -0.546 175.976 176.600 -0.129 0.000 1.176 1162 K CA -0.187 56.064 56.287 -0.061 0.000 1.064 1162 K CB 1.358 33.833 32.500 -0.041 0.000 1.009 1162 K HN -0.110 nan 8.250 nan 0.000 0.472 1163 V N 2.227 122.046 119.914 -0.159 0.000 2.407 1163 V HA 0.346 4.466 4.120 0.000 0.000 0.278 1163 V C 0.136 176.138 176.094 -0.153 0.000 1.037 1163 V CA -0.648 61.506 62.300 -0.244 0.000 0.900 1163 V CB 1.135 32.774 31.823 -0.307 0.000 0.983 1163 V HN 0.338 nan 8.190 nan 0.000 0.459 1164 I N 5.610 126.079 120.570 -0.169 0.000 2.412 1164 I HA 0.423 4.593 4.170 0.000 0.000 0.296 1164 I C -0.437 175.596 176.117 -0.140 0.000 0.987 1164 I CA -0.463 60.762 61.300 -0.125 0.000 1.180 1164 I CB 1.669 39.581 38.000 -0.146 0.000 1.340 1164 I HN 0.345 nan 8.210 nan 0.000 0.455 1165 L N 5.891 127.064 121.223 -0.084 0.000 2.282 1165 L HA 0.432 4.772 4.340 0.000 0.000 0.288 1165 L C -0.614 176.230 176.870 -0.044 0.000 1.033 1165 L CA -0.469 54.332 54.840 -0.065 0.000 0.807 1165 L CB 1.662 43.709 42.059 -0.021 0.000 1.209 1165 L HN 0.625 nan 8.230 nan 0.000 0.423 1166 C N 3.823 123.078 119.300 -0.075 0.000 2.322 1166 C HA 0.290 4.750 4.460 0.000 0.000 0.324 1166 C C -0.022 174.965 174.990 -0.004 0.000 1.249 1166 C CA -0.798 58.188 59.018 -0.053 0.000 1.453 1166 C CB 0.676 28.293 27.740 -0.205 0.000 2.145 1166 C HN 0.790 nan 8.230 nan 0.000 0.466 1167 D N 3.584 124.083 120.400 0.164 0.000 2.350 1167 D HA 0.267 4.907 4.640 0.000 0.000 0.249 1167 D C 0.244 176.671 176.300 0.211 0.000 1.119 1167 D CA -0.018 54.088 54.000 0.176 0.000 0.886 1167 D CB 0.832 41.791 40.800 0.266 0.000 1.195 1167 D HN 0.803 nan 8.370 nan 0.000 0.437 1168 R N 1.896 122.447 120.500 0.086 0.000 2.637 1168 R HA 0.461 4.801 4.340 0.000 0.000 0.446 1168 R C 0.460 176.822 176.300 0.103 0.000 1.024 1168 R CA -0.420 55.725 56.100 0.075 0.000 1.080 1168 R CB 0.435 30.689 30.300 -0.077 0.000 1.421 1168 R HN 0.508 nan 8.270 nan 0.000 0.593 1169 G N -0.291 108.586 108.800 0.128 0.000 2.730 1169 G HA2 0.274 4.234 3.960 0.000 0.000 0.686 1169 G HA3 0.274 4.234 3.960 0.000 0.000 0.686 1169 G C -0.771 174.153 174.900 0.040 0.000 1.343 1169 G CA -0.576 44.579 45.100 0.092 0.000 0.826 1169 G HN 0.698 nan 8.290 nan 0.000 0.582 1170 A N 0.891 123.736 122.820 0.042 0.000 2.401 1170 A HA 0.796 5.116 4.320 0.000 0.000 0.310 1170 A C 0.211 177.873 177.584 0.129 0.000 1.075 1170 A CA -0.676 51.395 52.037 0.057 0.000 0.746 1170 A CB 1.010 20.019 19.000 0.015 0.000 1.277 1170 A HN 0.975 nan 8.150 nan 0.000 0.425 1171 N N 0.838 119.633 118.700 0.159 0.000 2.359 1171 N HA 0.040 4.780 4.740 0.000 0.000 0.261 1171 N C -1.423 174.229 175.510 0.236 0.000 1.267 1171 N CA 0.974 54.138 53.050 0.190 0.000 0.864 1171 N CB 0.227 38.819 38.487 0.175 0.000 1.063 1171 N HN 0.504 nan 8.380 nan 0.000 0.474 1172 F N 2.413 122.387 119.950 0.041 0.000 2.564 1172 F HA 0.407 4.934 4.527 0.000 0.000 0.368 1172 F C 0.821 176.618 175.800 -0.006 0.000 1.127 1172 F CA -0.040 57.967 58.000 0.012 0.000 1.170 1172 F CB -0.099 38.913 39.000 0.020 0.000 1.397 1172 F HN 0.714 nan 8.300 nan 0.000 0.493 1173 G N 2.962 111.554 108.800 -0.347 0.000 2.525 1173 G HA2 -0.291 3.669 3.960 0.000 0.000 0.248 1173 G HA3 -0.291 3.669 3.960 0.000 0.000 0.248 1173 G C -1.266 173.511 174.900 -0.205 0.000 1.238 1173 G CA -0.253 44.596 45.100 -0.417 0.000 0.926 1173 G HN 0.455 nan 8.290 nan 0.000 0.574 1174 Y N 2.069 122.329 120.300 -0.066 0.000 2.334 1174 Y HA 0.465 5.015 4.550 0.000 0.000 0.328 1174 Y C 1.055 176.964 175.900 0.014 0.000 1.130 1174 Y CA -0.293 57.797 58.100 -0.018 0.000 1.163 1174 Y CB 1.108 39.554 38.460 -0.023 0.000 1.207 1174 Y HN 0.621 nan 8.280 nan 0.000 0.471 1175 D N 1.178 121.708 120.400 0.217 0.000 2.737 1175 D HA -0.304 4.336 4.640 0.000 0.000 0.233 1175 D C -0.423 175.965 176.300 0.146 0.000 1.155 1175 D CA 0.930 55.019 54.000 0.148 0.000 0.667 1175 D CB -0.922 39.943 40.800 0.110 0.000 1.060 1175 D HN 0.754 nan 8.370 nan 0.000 0.427 1176 N N -0.464 118.335 118.700 0.165 0.000 2.405 1176 N HA 0.560 5.300 4.740 0.000 0.000 0.274 1176 N C -1.251 174.392 175.510 0.222 0.000 1.170 1176 N CA -0.610 52.553 53.050 0.187 0.000 0.848 1176 N CB 1.802 40.416 38.487 0.212 0.000 1.629 1176 N HN -0.087 nan 8.380 nan 0.000 0.481 1177 L N 1.753 123.098 121.223 0.203 0.000 2.354 1177 L HA 0.718 5.058 4.340 0.000 0.000 0.264 1177 L C -0.780 176.165 176.870 0.126 0.000 1.008 1177 L CA -0.986 53.961 54.840 0.179 0.000 0.819 1177 L CB 2.130 44.275 42.059 0.143 0.000 1.339 1177 L HN 0.265 nan 8.230 nan 0.000 0.420 1178 V N 2.254 122.199 119.914 0.052 0.000 2.876 1178 V HA 0.559 4.679 4.120 0.000 0.000 0.312 1178 V C -0.964 175.095 176.094 -0.058 0.000 1.085 1178 V CA -0.494 61.745 62.300 -0.102 0.000 0.945 1178 V CB 2.662 34.227 31.823 -0.430 0.000 1.017 1178 V HN 0.399 nan 8.190 nan 0.000 0.428 1179 V N 4.827 124.709 119.914 -0.054 0.000 2.370 1179 V HA 0.378 4.498 4.120 0.000 0.000 0.279 1179 V C -0.308 175.683 176.094 -0.171 0.000 1.029 1179 V CA -0.447 61.812 62.300 -0.068 0.000 0.870 1179 V CB 1.497 33.335 31.823 0.025 0.000 0.984 1179 V HN 0.938 nan 8.190 nan 0.000 0.451 1180 D N 5.535 125.790 120.400 -0.242 0.000 2.422 1180 D HA 0.193 4.833 4.640 0.000 0.000 0.227 1180 D C 1.096 177.175 176.300 -0.368 0.000 1.190 1180 D CA -0.364 53.484 54.000 -0.253 0.000 0.905 1180 D CB 1.018 41.686 40.800 -0.220 0.000 1.034 1180 D HN 0.326 nan 8.370 nan 0.000 0.507 1181 M N 3.058 122.519 119.600 -0.231 0.000 2.346 1181 M HA -0.115 4.365 4.480 0.000 0.000 0.263 1181 M C 1.507 177.747 176.300 -0.100 0.000 1.064 1181 M CA 0.867 56.091 55.300 -0.127 0.000 1.083 1181 M CB -0.372 32.230 32.600 0.004 0.000 1.399 1181 M HN 0.520 nan 8.290 nan 0.000 0.435 1182 L N -1.189 119.949 121.223 -0.141 0.000 2.492 1182 L HA 0.029 4.369 4.340 0.000 0.000 0.223 1182 L C 2.430 179.213 176.870 -0.143 0.000 1.132 1182 L CA 0.326 55.112 54.840 -0.090 0.000 0.850 1182 L CB -0.902 41.113 42.059 -0.073 0.000 0.966 1182 L HN 0.321 nan 8.230 nan 0.000 0.454 1183 G N -0.100 108.515 108.800 -0.309 0.000 2.448 1183 G HA2 -0.213 3.747 3.960 0.000 0.000 0.218 1183 G HA3 -0.213 3.747 3.960 0.000 0.000 0.218 1183 G C 1.264 176.003 174.900 -0.268 0.000 1.135 1183 G CA 0.153 45.064 45.100 -0.315 0.000 0.784 1183 G HN 0.155 nan 8.290 nan 0.000 0.543 1184 F N 2.140 122.045 119.950 -0.076 0.000 2.091 1184 F HA -0.110 4.417 4.527 0.000 0.000 0.299 1184 F C 3.031 178.809 175.800 -0.037 0.000 1.103 1184 F CA 1.542 59.505 58.000 -0.061 0.000 1.228 1184 F CB -0.755 38.197 39.000 -0.080 0.000 0.984 1184 F HN 0.078 nan 8.300 nan 0.000 0.477 1185 S N 0.119 115.900 115.700 0.135 0.000 2.383 1185 S HA -0.100 4.370 4.470 0.000 0.000 0.227 1185 S C 2.097 176.718 174.600 0.035 0.000 1.026 1185 S CA 0.820 59.065 58.200 0.075 0.000 0.981 1185 S CB -0.292 62.941 63.200 0.055 0.000 0.818 1185 S HN 0.126 nan 8.310 nan 0.000 0.472 1186 I N 2.128 122.701 120.570 0.005 0.000 2.163 1186 I HA -0.174 3.996 4.170 0.000 0.000 0.243 1186 I C 2.277 178.393 176.117 -0.002 0.000 1.085 1186 I CA 1.498 62.792 61.300 -0.010 0.000 1.347 1186 I CB -1.388 36.591 38.000 -0.036 0.000 1.044 1186 I HN 0.341 nan 8.210 nan 0.000 0.408 1187 M N 0.121 119.719 119.600 -0.003 0.000 2.108 1187 M HA -0.260 4.220 4.480 0.000 0.000 0.261 1187 M C 2.327 178.641 176.300 0.024 0.000 1.066 1187 M CA 1.797 57.101 55.300 0.007 0.000 1.107 1187 M CB -0.487 32.123 32.600 0.016 0.000 1.356 1187 M HN 0.164 nan 8.290 nan 0.000 0.406 1188 K N 0.849 121.274 120.400 0.042 0.000 2.009 1188 K HA -0.256 4.064 4.320 0.000 0.000 0.210 1188 K C 2.068 178.684 176.600 0.026 0.000 1.049 1188 K CA 1.823 58.134 56.287 0.040 0.000 0.929 1188 K CB -0.063 32.468 32.500 0.051 0.000 0.714 1188 K HN -0.066 nan 8.250 nan 0.000 0.440 1189 K N 0.824 121.238 120.400 0.022 0.000 2.063 1189 K HA -0.121 4.199 4.320 0.000 0.000 0.208 1189 K C 1.742 178.349 176.600 0.012 0.000 1.048 1189 K CA 1.894 58.191 56.287 0.016 0.000 0.928 1189 K CB -0.317 32.190 32.500 0.012 0.000 0.713 1189 K HN 0.239 nan 8.250 nan 0.000 0.442 1190 V N -0.974 118.945 119.914 0.010 0.000 3.573 1190 V HA 0.124 4.244 4.120 0.000 0.000 0.270 1190 V C 0.969 177.070 176.094 0.012 0.000 1.221 1190 V CA 1.059 63.364 62.300 0.008 0.000 1.163 1190 V CB -0.399 31.426 31.823 0.004 0.000 0.847 1190 V HN 0.365 nan 8.190 nan 0.000 0.468 1191 S N -0.482 115.227 115.700 0.014 0.000 2.664 1191 S HA 0.523 4.993 4.470 0.000 0.000 0.245 1191 S C 1.366 175.976 174.600 0.016 0.000 1.019 1191 S CA 0.359 58.568 58.200 0.015 0.000 0.996 1191 S CB 0.064 63.272 63.200 0.013 0.000 0.878 1191 S HN 1.758 nan 8.310 nan 0.000 0.493 1192 G N 2.350 111.159 108.800 0.016 0.000 2.249 1192 G HA2 -0.321 3.639 3.960 0.000 0.000 0.273 1192 G HA3 -0.321 3.639 3.960 0.000 0.000 0.273 1192 G C 0.242 175.151 174.900 0.016 0.000 1.036 1192 G CA -0.094 45.016 45.100 0.015 0.000 0.824 1192 G HN 0.676 nan 8.290 nan 0.000 0.504 1193 N N -1.611 117.100 118.700 0.018 0.000 2.747 1193 N HA -0.182 4.558 4.740 0.000 0.000 0.249 1193 N C 0.669 176.191 175.510 0.020 0.000 1.107 1193 N CA 1.302 54.365 53.050 0.021 0.000 0.707 1193 N CB -1.578 36.922 38.487 0.021 0.000 1.054 1193 N HN 0.860 nan 8.380 nan 0.000 0.555 1194 S N 0.926 116.636 115.700 0.016 0.000 2.569 1194 S HA 0.188 4.659 4.470 0.000 0.000 0.274 1194 S C -1.952 172.659 174.600 0.018 0.000 1.353 1194 S CA -0.447 57.758 58.200 0.009 0.000 1.023 1194 S CB 0.531 63.728 63.200 -0.005 0.000 0.876 1194 S HN 0.119 nan 8.310 nan 0.000 0.540 1195 P HA 0.206 nan 4.420 nan 0.000 0.268 1195 P C -1.208 176.113 177.300 0.035 0.000 1.205 1195 P CA -0.213 62.908 63.100 0.035 0.000 0.771 1195 P CB 0.384 32.113 31.700 0.047 0.000 0.858 1196 V N 4.841 124.789 119.914 0.057 0.000 2.444 1196 V HA 0.442 4.562 4.120 0.000 0.000 0.294 1196 V C 0.461 176.605 176.094 0.084 0.000 1.022 1196 V CA -0.509 61.840 62.300 0.082 0.000 0.850 1196 V CB 1.003 32.905 31.823 0.132 0.000 0.992 1196 V HN 0.436 nan 8.190 nan 0.000 0.426 1197 I N 1.303 121.931 120.570 0.098 0.000 3.023 1197 I HA 0.775 4.945 4.170 0.000 0.000 0.312 1197 I C -1.385 174.889 176.117 0.262 0.000 1.056 1197 I CA -0.853 60.532 61.300 0.141 0.000 1.033 1197 I CB 2.310 40.368 38.000 0.095 0.000 1.233 1197 I HN 0.468 nan 8.210 nan 0.000 0.462 1198 F N 2.784 122.788 119.950 0.091 0.000 2.536 1198 F HA 0.416 4.943 4.527 0.000 0.000 0.322 1198 F C -0.979 174.937 175.800 0.193 0.000 1.144 1198 F CA -1.237 56.856 58.000 0.155 0.000 0.924 1198 F CB 1.260 40.300 39.000 0.066 0.000 1.181 1198 F HN 0.561 nan 8.300 nan 0.000 0.438 1199 D N 5.737 126.080 120.400 -0.095 0.000 2.468 1199 D HA 0.079 4.719 4.640 0.000 0.000 0.218 1199 D C 0.802 176.793 176.300 -0.515 0.000 1.155 1199 D CA 0.206 54.107 54.000 -0.165 0.000 0.924 1199 D CB 1.126 41.755 40.800 -0.285 0.000 1.029 1199 D HN 0.469 nan 8.370 nan 0.000 0.515 1200 V N 3.766 123.262 119.914 -0.697 0.000 2.548 1200 V HA -0.180 3.940 4.120 0.000 0.000 0.249 1200 V C 2.237 178.185 176.094 -0.244 0.000 1.055 1200 V CA 2.704 64.581 62.300 -0.706 0.000 1.065 1200 V CB -0.460 31.114 31.823 -0.415 0.000 0.681 1200 V HN 0.786 nan 8.190 nan 0.000 0.462 1201 T N -2.489 111.973 114.554 -0.153 0.000 2.777 1201 T HA -0.251 4.099 4.350 0.000 0.000 0.266 1201 T C 1.666 176.229 174.700 -0.230 0.000 1.040 1201 T CA 2.032 64.024 62.100 -0.180 0.000 1.141 1201 T CB -0.695 68.049 68.868 -0.207 0.000 0.868 1201 T HN 0.686 nan 8.240 nan 0.000 0.444 1202 H N 0.913 119.970 119.070 -0.023 0.000 2.512 1202 H HA 0.560 5.116 4.556 0.000 0.000 0.279 1202 H C 2.510 177.837 175.328 -0.002 0.000 0.999 1202 H CA 0.609 56.643 56.048 -0.023 0.000 1.283 1202 H CB -0.184 29.537 29.762 -0.069 0.000 1.421 1202 H HN 0.542 nan 8.280 nan 0.000 0.554 1203 A N 0.791 123.661 122.820 0.083 0.000 2.121 1203 A HA -0.020 4.300 4.320 0.000 0.000 0.218 1203 A C 1.107 178.759 177.584 0.113 0.000 1.154 1203 A CA 0.545 52.663 52.037 0.134 0.000 0.679 1203 A CB -0.370 18.771 19.000 0.236 0.000 0.795 1203 A HN 0.298 nan 8.150 nan 0.000 0.458 1204 L N 1.460 122.723 121.223 0.065 0.000 2.480 1204 L HA 0.074 4.414 4.340 0.000 0.000 0.243 1204 L C 0.920 177.829 176.870 0.065 0.000 1.315 1204 L CA -0.592 54.284 54.840 0.061 0.000 1.231 1204 L CB -0.554 41.520 42.059 0.027 0.000 1.444 1204 L HN 0.583 nan 8.230 nan 0.000 0.409 1219 A N 1.018 123.850 122.820 0.020 0.000 2.259 1219 A HA 0.045 4.365 4.320 0.000 0.000 0.208 1219 A C 0.602 178.213 177.584 0.045 0.000 1.201 1219 A CA 0.667 52.721 52.037 0.029 0.000 0.824 1219 A CB -0.039 18.977 19.000 0.027 0.000 0.838 1219 A HN 0.577 nan 8.150 nan 0.000 0.485 1220 Q N -0.827 119.002 119.800 0.048 0.000 2.247 1220 Q HA 0.107 4.447 4.340 0.000 0.000 0.211 1220 Q C 1.284 177.338 176.000 0.090 0.000 0.861 1220 Q CA 0.037 55.880 55.803 0.066 0.000 0.949 1220 Q CB 0.460 29.234 28.738 0.060 0.000 1.115 1220 Q HN 0.484 nan 8.270 nan 0.000 0.507 1221 V N 0.605 120.567 119.914 0.079 0.000 2.295 1221 V HA -0.292 3.828 4.120 0.000 0.000 0.246 1221 V C 2.301 178.547 176.094 0.253 0.000 1.049 1221 V CA 2.196 64.557 62.300 0.102 0.000 1.024 1221 V CB -0.828 30.985 31.823 -0.017 0.000 0.648 1221 V HN 0.393 nan 8.190 nan 0.000 0.447 1222 A N -0.582 122.405 122.820 0.278 0.000 1.930 1222 A HA -0.219 4.101 4.320 0.000 0.000 0.217 1222 A C 2.210 179.889 177.584 0.158 0.000 1.175 1222 A CA 1.786 54.015 52.037 0.319 0.000 0.627 1222 A CB -0.427 18.718 19.000 0.241 0.000 0.815 1222 A HN 0.625 nan 8.150 nan 0.000 0.443 1223 E N -0.504 119.773 120.200 0.128 0.000 2.047 1223 E HA -0.109 4.241 4.350 0.000 0.000 0.191 1223 E C 2.005 178.674 176.600 0.115 0.000 0.987 1223 E CA 0.889 57.344 56.400 0.092 0.000 0.799 1223 E CB -0.199 29.547 29.700 0.077 0.000 0.752 1223 E HN 0.543 nan 8.360 nan 0.000 0.449 1224 L N 0.461 121.782 121.223 0.164 0.000 2.072 1224 L HA -0.115 4.225 4.340 0.000 0.000 0.205 1224 L C 2.419 179.493 176.870 0.339 0.000 1.079 1224 L CA 1.164 56.148 54.840 0.239 0.000 0.752 1224 L CB -0.449 41.772 42.059 0.270 0.000 0.906 1224 L HN 0.117 nan 8.230 nan 0.000 0.436 1225 A N -0.088 122.911 122.820 0.299 0.000 1.902 1225 A HA -0.243 4.077 4.320 0.000 0.000 0.217 1225 A C 2.289 179.932 177.584 0.099 0.000 1.181 1225 A CA 1.485 53.688 52.037 0.276 0.000 0.623 1225 A CB -0.509 18.665 19.000 0.290 0.000 0.818 1225 A HN 0.374 nan 8.150 nan 0.000 0.443 1226 R N -0.688 119.825 120.500 0.021 0.000 2.083 1226 R HA -0.126 4.214 4.340 0.000 0.000 0.237 1226 R C 2.550 178.835 176.300 -0.025 0.000 1.137 1226 R CA 1.280 57.348 56.100 -0.053 0.000 0.951 1226 R CB -0.510 29.765 30.300 -0.041 0.000 0.851 1226 R HN 0.529 nan 8.270 nan 0.000 0.434 1227 A N 0.596 123.431 122.820 0.025 0.000 1.865 1227 A HA -0.144 4.176 4.320 0.000 0.000 0.217 1227 A C 2.377 179.938 177.584 -0.038 0.000 1.191 1227 A CA 2.013 54.055 52.037 0.009 0.000 0.623 1227 A CB -1.315 17.705 19.000 0.034 0.000 0.826 1227 A HN 0.505 nan 8.150 nan 0.000 0.444 1228 G N -1.069 107.707 108.800 -0.040 0.000 2.421 1228 G HA2 -0.194 3.766 3.960 0.000 0.000 0.216 1228 G HA3 -0.194 3.766 3.960 0.000 0.000 0.216 1228 G C 1.483 176.230 174.900 -0.256 0.000 1.171 1228 G CA 1.320 46.272 45.100 -0.247 0.000 0.775 1228 G HN 0.330 nan 8.290 nan 0.000 0.543 1229 M N 1.356 120.864 119.600 -0.154 0.000 2.202 1229 M HA 0.037 4.517 4.480 0.000 0.000 0.262 1229 M C 2.909 179.103 176.300 -0.178 0.000 1.063 1229 M CA 1.034 56.203 55.300 -0.218 0.000 1.097 1229 M CB -1.309 31.113 32.600 -0.295 0.000 1.382 1229 M HN 0.319 nan 8.290 nan 0.000 0.413 1230 A N -0.426 122.319 122.820 -0.124 0.000 2.067 1230 A HA -0.019 4.301 4.320 0.000 0.000 0.219 1230 A C 2.423 179.979 177.584 -0.047 0.000 1.158 1230 A CA 1.109 53.103 52.037 -0.071 0.000 0.661 1230 A CB -0.768 18.215 19.000 -0.028 0.000 0.801 1230 A HN 0.301 nan 8.150 nan 0.000 0.452 1231 V N -0.744 119.117 119.914 -0.089 0.000 2.515 1231 V HA 0.158 4.278 4.120 0.000 0.000 0.250 1231 V C 1.403 177.460 176.094 -0.062 0.000 1.058 1231 V CA 1.285 63.551 62.300 -0.056 0.000 1.064 1231 V CB -1.293 30.488 31.823 -0.070 0.000 0.675 1231 V HN 1.247 nan 8.190 nan 0.000 0.461 1232 G N 0.519 109.248 108.800 -0.119 0.000 2.721 1232 G HA2 -0.103 3.857 3.960 0.000 0.000 0.462 1232 G HA3 -0.103 3.857 3.960 0.000 0.000 0.462 1232 G C -0.904 173.928 174.900 -0.112 0.000 1.062 1232 G CA -0.493 44.555 45.100 -0.087 0.000 1.233 1232 G HN 0.297 nan 8.290 nan 0.000 0.545 1233 L N 0.907 122.052 121.223 -0.130 0.000 2.303 1233 L HA 0.796 5.136 4.340 0.000 0.000 0.266 1233 L C 1.641 178.528 176.870 0.029 0.000 1.011 1233 L CA -0.767 54.008 54.840 -0.109 0.000 0.818 1233 L CB 1.769 43.697 42.059 -0.218 0.000 1.326 1233 L HN 0.587 nan 8.230 nan 0.000 0.435 1234 A N 0.657 123.518 122.820 0.068 0.000 2.119 1234 A HA 0.462 4.782 4.320 0.000 0.000 0.217 1234 A C 0.823 178.555 177.584 0.247 0.000 1.153 1234 A CA 1.152 53.270 52.037 0.135 0.000 0.692 1234 A CB -0.317 18.752 19.000 0.115 0.000 0.799 1234 A HN 0.905 nan 8.150 nan 0.000 0.458 1235 G N -2.343 106.626 108.800 0.282 0.000 2.349 1235 G HA2 0.477 4.437 3.960 0.000 0.000 0.294 1235 G HA3 0.477 4.437 3.960 0.000 0.000 0.294 1235 G C -2.000 173.154 174.900 0.423 0.000 1.380 1235 G CA -0.339 45.046 45.100 0.474 0.000 0.811 1235 G HN 0.632 nan 8.290 nan 0.000 0.519 1236 L N -0.413 121.150 121.223 0.566 0.000 2.401 1236 L HA 0.922 5.262 4.340 0.000 0.000 0.266 1236 L C -1.724 175.443 176.870 0.496 0.000 0.991 1236 L CA -1.051 54.045 54.840 0.426 0.000 0.818 1236 L CB 1.995 44.257 42.059 0.339 0.000 1.321 1236 L HN 0.608 nan 8.230 nan 0.000 0.413 1237 F N 5.943 126.004 119.950 0.184 0.000 2.493 1237 F HA 0.777 5.304 4.527 0.000 0.000 0.329 1237 F C -1.026 174.812 175.800 0.064 0.000 1.126 1237 F CA -0.573 57.512 58.000 0.141 0.000 0.937 1237 F CB 1.146 40.163 39.000 0.027 0.000 1.146 1237 F HN 0.470 nan 8.300 nan 0.000 0.442 1238 I N 4.393 124.899 120.570 -0.106 0.000 3.004 1238 I HA 0.397 4.567 4.170 0.000 0.000 0.305 1238 I C -1.721 174.313 176.117 -0.137 0.000 1.312 1238 I CA -0.423 60.862 61.300 -0.025 0.000 0.992 1238 I CB 2.397 40.436 38.000 0.064 0.000 1.282 1238 I HN 0.628 nan 8.210 nan 0.000 0.449 1239 E N 4.063 124.222 120.200 -0.068 0.000 2.288 1239 E HA 0.794 5.144 4.350 0.000 0.000 0.268 1239 E C -1.341 175.273 176.600 0.024 0.000 0.885 1239 E CA -0.856 55.520 56.400 -0.040 0.000 0.767 1239 E CB 2.372 32.045 29.700 -0.044 0.000 1.220 1239 E HN 0.643 nan 8.360 nan 0.000 0.427 1240 A N 2.197 125.087 122.820 0.117 0.000 2.532 1240 A HA 0.710 5.030 4.320 0.000 0.000 0.290 1240 A C -1.538 176.146 177.584 0.167 0.000 1.143 1240 A CA -0.483 51.615 52.037 0.102 0.000 0.728 1240 A CB 1.902 20.947 19.000 0.075 0.000 1.317 1240 A HN 0.647 nan 8.150 nan 0.000 0.414 1241 H N -0.556 118.525 119.070 0.017 0.000 3.085 1241 H HA 0.303 4.859 4.556 0.000 0.000 0.356 1241 H C -2.608 172.717 175.328 -0.004 0.000 1.178 1241 H CA -1.055 55.007 56.048 0.024 0.000 1.214 1241 H CB 2.554 32.325 29.762 0.016 0.000 1.881 1241 H HN 0.279 nan 8.280 nan 0.000 0.538 1242 P HA -0.097 nan 4.420 nan 0.000 0.215 1242 P C -0.269 177.086 177.300 0.092 0.000 1.153 1242 P CA 1.458 64.530 63.100 -0.047 0.000 0.853 1242 P CB 0.376 32.001 31.700 -0.124 0.000 0.788 1243 D N -2.522 118.068 120.400 0.317 0.000 2.358 1243 D HA 0.195 4.835 4.640 0.000 0.000 0.253 1243 D C -2.340 174.056 176.300 0.160 0.000 1.288 1243 D CA -2.384 51.737 54.000 0.201 0.000 0.950 1243 D CB 0.523 41.399 40.800 0.126 0.000 1.197 1243 D HN -0.145 nan 8.370 nan 0.000 0.550 1244 P HA -0.030 nan 4.420 nan 0.000 0.240 1244 P C -0.608 176.622 177.300 -0.116 0.000 1.186 1244 P CA 0.508 63.565 63.100 -0.073 0.000 0.755 1244 P CB -0.078 31.610 31.700 -0.021 0.000 0.870 1253 S N 0.808 116.467 115.700 -0.068 0.000 2.955 1253 S HA 0.704 5.174 4.470 0.000 0.000 0.294 1253 S C 0.331 174.883 174.600 -0.078 0.000 1.198 1253 S CA -0.284 57.881 58.200 -0.059 0.000 1.008 1253 S CB -0.254 62.921 63.200 -0.042 0.000 1.279 1253 S HN 0.600 nan 8.310 nan 0.000 0.508 1254 A N 3.355 126.138 122.820 -0.061 0.000 2.351 1254 A HA 0.594 4.914 4.320 0.000 0.000 0.257 1254 A C 0.056 177.602 177.584 -0.063 0.000 1.087 1254 A CA -0.728 51.280 52.037 -0.048 0.000 0.798 1254 A CB 0.216 19.226 19.000 0.015 0.000 1.033 1254 A HN 0.947 nan 8.150 nan 0.000 0.488 1255 L N 2.940 124.103 121.223 -0.099 0.000 2.349 1255 L HA 0.483 4.823 4.340 0.000 0.000 0.275 1255 L C -2.352 174.466 176.870 -0.087 0.000 1.115 1255 L CA -1.607 53.137 54.840 -0.160 0.000 0.820 1255 L CB 0.774 42.632 42.059 -0.335 0.000 1.135 1255 L HN 0.336 nan 8.230 nan 0.000 0.445 1256 P HA 0.031 nan 4.420 nan 0.000 0.267 1256 P C 0.954 178.218 177.300 -0.059 0.000 1.209 1256 P CA 0.024 63.103 63.100 -0.036 0.000 0.763 1256 P CB 0.672 32.354 31.700 -0.030 0.000 0.816 1257 L N 3.742 124.933 121.223 -0.053 0.000 2.034 1257 L HA -0.333 4.007 4.340 0.000 0.000 0.217 1257 L C 2.015 178.830 176.870 -0.091 0.000 1.077 1257 L CA 2.439 57.228 54.840 -0.084 0.000 0.769 1257 L CB -0.747 41.238 42.059 -0.123 0.000 0.890 1257 L HN 0.412 nan 8.230 nan 0.000 0.435 1258 A N -1.011 121.735 122.820 -0.123 0.000 2.076 1258 A HA -0.187 4.133 4.320 0.000 0.000 0.220 1258 A C 1.922 179.506 177.584 -0.001 0.000 1.160 1258 A CA 1.322 53.298 52.037 -0.102 0.000 0.653 1258 A CB -0.250 18.695 19.000 -0.092 0.000 0.801 1258 A HN 0.302 nan 8.150 nan 0.000 0.455 1259 K N -0.186 120.209 120.400 -0.008 0.000 2.444 1259 K HA 0.210 4.530 4.320 0.000 0.000 0.193 1259 K C 1.532 178.156 176.600 0.039 0.000 1.024 1259 K CA -0.146 56.152 56.287 0.018 0.000 1.077 1259 K CB -0.408 32.093 32.500 0.001 0.000 0.833 1259 K HN 0.534 nan 8.250 nan 0.000 0.517 1260 L N 1.150 122.379 121.223 0.009 0.000 1.990 1260 L HA -0.271 4.069 4.340 0.000 0.000 0.213 1260 L C 2.260 179.152 176.870 0.036 0.000 1.072 1260 L CA 1.941 56.753 54.840 -0.047 0.000 0.755 1260 L CB -0.176 41.740 42.059 -0.239 0.000 0.889 1260 L HN 0.331 nan 8.230 nan 0.000 0.432 1261 E N -0.348 119.853 120.200 0.002 0.000 2.038 1261 E HA -0.209 4.141 4.350 0.000 0.000 0.195 1261 E C -0.598 176.027 176.600 0.041 0.000 1.000 1261 E CA 1.745 58.139 56.400 -0.009 0.000 0.803 1261 E CB -0.603 29.084 29.700 -0.020 0.000 0.750 1261 E HN 0.429 nan 8.360 nan 0.000 0.448 1262 P HA -0.176 nan 4.420 nan 0.000 0.217 1262 P C 1.410 178.762 177.300 0.086 0.000 1.150 1262 P CA 1.088 64.224 63.100 0.059 0.000 0.832 1262 P CB -0.272 31.463 31.700 0.059 0.000 0.787 1263 F N 1.172 121.111 119.950 -0.019 0.000 2.075 1263 F HA -0.139 4.388 4.527 0.000 0.000 0.297 1263 F C 2.233 178.030 175.800 -0.005 0.000 1.113 1263 F CA 1.461 59.453 58.000 -0.013 0.000 1.218 1263 F CB -0.980 38.011 39.000 -0.015 0.000 0.984 1263 F HN -0.311 nan 8.300 nan 0.000 0.472 1264 L N 0.117 121.391 121.223 0.086 0.000 2.201 1264 L HA -0.189 4.151 4.340 0.000 0.000 0.212 1264 L C 2.358 179.205 176.870 -0.038 0.000 1.105 1264 L CA 1.196 56.044 54.840 0.015 0.000 0.775 1264 L CB -0.668 41.470 42.059 0.131 0.000 0.913 1264 L HN 0.147 nan 8.230 nan 0.000 0.440 1265 K N -0.199 120.177 120.400 -0.040 0.000 2.057 1265 K HA -0.188 4.132 4.320 0.000 0.000 0.207 1265 K C 2.145 178.695 176.600 -0.084 0.000 1.049 1265 K CA 1.236 57.499 56.287 -0.040 0.000 0.931 1265 K CB -0.091 32.392 32.500 -0.028 0.000 0.714 1265 K HN 0.404 nan 8.250 nan 0.000 0.440 1266 Q N -0.048 119.667 119.800 -0.142 0.000 2.050 1266 Q HA -0.133 4.207 4.340 0.000 0.000 0.202 1266 Q C 2.202 178.059 176.000 -0.237 0.000 0.980 1266 Q CA 1.246 56.940 55.803 -0.181 0.000 0.840 1266 Q CB -0.072 28.534 28.738 -0.220 0.000 0.898 1266 Q HN 0.268 nan 8.270 nan 0.000 0.424 1267 M N 0.783 120.169 119.600 -0.357 0.000 2.080 1267 M HA -0.176 4.304 4.480 0.000 0.000 0.260 1267 M C 2.085 178.215 176.300 -0.283 0.000 1.068 1267 M CA 1.591 56.627 55.300 -0.439 0.000 1.109 1267 M CB -0.987 31.257 32.600 -0.595 0.000 1.342 1267 M HN 0.110 nan 8.290 nan 0.000 0.405 1268 K N 0.060 120.446 120.400 -0.023 0.000 2.057 1268 K HA -0.077 4.243 4.320 0.000 0.000 0.207 1268 K C 2.014 178.614 176.600 0.000 0.000 1.049 1268 K CA 1.423 57.796 56.287 0.142 0.000 0.931 1268 K CB -0.033 32.560 32.500 0.156 0.000 0.714 1268 K HN 0.233 nan 8.250 nan 0.000 0.440 1269 A N 1.303 124.091 122.820 -0.053 0.000 1.883 1269 A HA -0.161 4.159 4.320 0.000 0.000 0.217 1269 A C 2.091 179.613 177.584 -0.104 0.000 1.186 1269 A CA 1.568 53.564 52.037 -0.069 0.000 0.624 1269 A CB -0.577 18.382 19.000 -0.068 0.000 0.822 1269 A HN 0.344 nan 8.150 nan 0.000 0.444 1270 I N -0.553 119.935 120.570 -0.136 0.000 2.252 1270 I HA -0.224 3.946 4.170 0.000 0.000 0.245 1270 I C 2.302 178.311 176.117 -0.180 0.000 1.102 1270 I CA 1.816 63.022 61.300 -0.157 0.000 1.385 1270 I CB -0.338 37.561 38.000 -0.168 0.000 1.064 1270 I HN 0.413 nan 8.210 nan 0.000 0.414 1271 D N 0.970 121.267 120.400 -0.172 0.000 2.097 1271 D HA -0.231 4.409 4.640 0.000 0.000 0.195 1271 D C 1.765 178.004 176.300 -0.102 0.000 0.989 1271 D CA 1.550 55.476 54.000 -0.124 0.000 0.827 1271 D CB 0.007 40.792 40.800 -0.025 0.000 0.966 1271 D HN 0.185 nan 8.370 nan 0.000 0.456 1272 D N 0.185 120.540 120.400 -0.074 0.000 2.123 1272 D HA -0.148 4.492 4.640 0.000 0.000 0.196 1272 D C 2.165 178.351 176.300 -0.190 0.000 0.992 1272 D CA 0.349 54.295 54.000 -0.089 0.000 0.833 1272 D CB -0.394 40.373 40.800 -0.056 0.000 0.954 1272 D HN 0.278 nan 8.370 nan 0.000 0.455 1273 L N 0.680 121.753 121.223 -0.251 0.000 1.994 1273 L HA -0.162 4.178 4.340 0.000 0.000 0.208 1273 L C 2.360 178.699 176.870 -0.884 0.000 1.071 1273 L CA 1.237 55.816 54.840 -0.434 0.000 0.745 1273 L CB -0.360 41.495 42.059 -0.340 0.000 0.892 1273 L HN -0.070 nan 8.230 nan 0.000 0.431 1274 V N 0.098 119.580 119.914 -0.721 0.000 2.295 1274 V HA -0.267 3.853 4.120 0.000 0.000 0.246 1274 V C 2.509 178.367 176.094 -0.393 0.000 1.049 1274 V CA 1.665 63.538 62.300 -0.711 0.000 1.024 1274 V CB -0.448 31.214 31.823 -0.268 0.000 0.648 1274 V HN 0.358 nan 8.190 nan 0.000 0.447 1275 K N 0.745 121.006 120.400 -0.232 0.000 2.280 1275 K HA -0.054 4.266 4.320 0.000 0.000 0.202 1275 K C 1.905 178.446 176.600 -0.099 0.000 1.047 1275 K CA 1.107 57.332 56.287 -0.104 0.000 0.942 1275 K CB -0.950 31.516 32.500 -0.057 0.000 0.739 1275 K HN 0.505 nan 8.250 nan 0.000 0.457 1276 G N -0.853 107.830 108.800 -0.194 0.000 2.712 1276 G HA2 -0.048 3.912 3.960 0.000 0.000 0.212 1276 G HA3 -0.048 3.912 3.960 0.000 0.000 0.212 1276 G C 0.080 174.985 174.900 0.009 0.000 1.142 1276 G CA -0.188 44.846 45.100 -0.111 0.000 0.789 1276 G HN 0.034 nan 8.290 nan 0.000 0.535 1277 F N 1.326 121.275 119.950 -0.003 0.000 2.496 1277 F HA 0.318 4.845 4.527 0.000 0.000 0.344 1277 F C 1.047 176.846 175.800 -0.002 0.000 1.155 1277 F CA -1.332 56.666 58.000 -0.004 0.000 1.302 1277 F CB 0.454 39.450 39.000 -0.007 0.000 1.159 1277 F HN 0.057 nan 8.300 nan 0.000 0.595 1278 E N 0.143 120.467 120.200 0.205 0.000 2.345 1278 E HA 0.082 4.432 4.350 0.000 0.000 0.259 1278 E C -0.236 176.410 176.600 0.078 0.000 1.117 1278 E CA -0.669 55.791 56.400 0.100 0.000 0.913 1278 E CB 0.536 30.269 29.700 0.055 0.000 1.057 1278 E HN 0.509 nan 8.360 nan 0.000 0.432 1279 E N 1.276 121.506 120.200 0.051 0.000 2.442 1279 E HA 0.017 4.367 4.350 0.000 0.000 0.262 1279 E C -1.249 175.359 176.600 0.014 0.000 1.004 1279 E CA -0.009 56.413 56.400 0.036 0.000 0.928 1279 E CB 0.449 30.165 29.700 0.026 0.000 0.937 1279 E HN 0.123 nan 8.360 nan 0.000 0.446 1280 L N 5.391 126.618 121.223 0.007 0.000 2.457 1280 L HA 0.300 4.640 4.340 0.000 0.000 0.266 1280 L C -1.439 175.425 176.870 -0.010 0.000 0.979 1280 L CA -0.444 54.385 54.840 -0.017 0.000 0.857 1280 L CB 1.723 43.753 42.059 -0.048 0.000 1.213 1280 L HN 0.385 nan 8.230 nan 0.000 0.418 1281 D N 2.746 123.140 120.400 -0.009 0.000 2.396 1281 D HA 0.260 4.900 4.640 0.000 0.000 0.225 1281 D C 0.561 176.854 176.300 -0.012 0.000 1.121 1281 D CA 0.086 54.082 54.000 -0.006 0.000 0.853 1281 D CB 1.521 42.320 40.800 -0.003 0.000 1.043 1281 D HN 0.690 nan 8.370 nan 0.000 0.500 1282 T N -0.514 114.033 114.554 -0.012 0.000 3.186 1282 T HA 0.022 4.372 4.350 0.000 0.000 0.257 1282 T C 1.430 176.124 174.700 -0.011 0.000 1.029 1282 T CA 0.037 62.128 62.100 -0.015 0.000 0.916 1282 T CB -0.074 68.784 68.868 -0.018 0.000 1.041 1282 T HN 0.209 nan 8.240 nan 0.000 0.562 1283 S N 0.743 116.438 115.700 -0.008 0.000 2.503 1283 S HA 0.211 4.681 4.470 0.000 0.000 0.217 1283 S C 0.649 175.246 174.600 -0.006 0.000 0.999 1283 S CA -0.478 57.719 58.200 -0.006 0.000 0.914 1283 S CB -0.231 62.967 63.200 -0.003 0.000 0.782 1283 S HN 0.839 nan 8.310 nan 0.000 0.520 1284 K N 0.000 120.396 120.400 -0.007 0.000 2.780 1284 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1284 K CA 0.000 56.283 56.287 -0.007 0.000 0.838 1284 K CB 0.000 32.497 32.500 -0.005 0.000 1.064 1284 K HN 0.000 nan 8.250 nan 0.000 0.543